Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, but-3-yn-1-yl ester

InChI

InChI=1S/C15H19NO4/c1-3-5-11-19-13(17)15(9-7-8-10-15)16-14(18)20-12-6-4-2/h1-2H,5-12H2,(H,16,18)

InChI Key

HKDVBHNYCKDPAZ-UHFFFAOYSA-N

Formula

C15H19NO4

SMILES

C#CCCOC(=O)C1(N=C(O)OCCC#C)CCCC1

Molecular Weight¹

277.32

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.820		Crippen Calculated Property
McVol	219.010	ml/mol	McGowan Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST

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Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, but-3-yn-1-yl ester.

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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