Chemical Properties of Cycloserine (CAS 68-41-7)

InChI

InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1

InChI Key

DYDCUQKUCUHJBH-REOHCLBHSA-N

Formula

C3H6N2O2

SMILES

NC1CONC1=O

Molecular Weight¹

102.09

CAS

68-41-7

Other Names

• (+)-4-Amino-3-isoxazolidinone
• (+)-Cycloserine
• 3-Isoxazolidinone, 4-amino-, (+)-
• 3-Isoxazolidinone, 4-amino-, (R)-
• 3-Isoxazolidinone, 4-amino-, d-
• 4-Amino-3-isoxazolidinone, (R)-
• 4-Amino-3-isoxazolidinone, D-
• 4-Isoxazolidinamine, 3-oxo-, (D)-
• Cicloserina
• Closina
• Cyclo-D-serine
• Cyclorin
• Cycloserin
• Cycloserine, D-
• D-4-Amino-3-isossazolidone
• D-4-Amino-3-isoxazolidinone
• D-4-Amino-3-isoxazolidone
• D-CS
• D-Cycloserine
• D-Oxamicina
• D-Oxamycin
• E-733-A
• Farmiserina
• I-1431
• K-300
• Micoserina
• Miroserina
• Miroseryn
• NJ-21
• NSC 154851
• Novoserin
• Orientomycin
• Oxamicina
• Oxamycin
• Oxymycin
• PA 94
• RO-1-9213
• Seromycin
• Tebemicina
• Tisomycin
• Wasserina
• «alpha»-Cycloserine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.11; 243.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.68400e+01
Coefficient B			2.97700e-01
Coefficient C			8.30000e-06
Coefficient D			-7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.11	J/mol×K	273.00	Calculated Property
Cp,gas	119.67	J/mol×K	353.78	Calculated Property
Cp,gas	141.24	J/mol×K	434.56	Calculated Property
Cp,gas	161.57	J/mol×K	515.33	Calculated Property
Cp,gas	180.39	J/mol×K	596.11	Calculated Property
Cp,gas	197.47	J/mol×K	676.89	Calculated Property
Cp,gas	212.54	J/mol×K	757.67	Calculated Property
Cp,gas	225.36	J/mol×K	838.44	Calculated Property
Cp,gas	235.68	J/mol×K	919.22	Calculated Property
Cp,gas	243.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cycloserine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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