(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid

C12H19NO3 — CID 107144689

IUPAC(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-2-3-8-10(12(15)16)13-11(14)9-6-4-5-7-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyIPEWPCMXEVKOGH-JTQLQIEISA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds6

About (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid

(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid (PubChem CID 107144689) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
PubChem CID107144689
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-2-3-8-10(12(15)16)13-11(14)9-6-4-5-7-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChIKeyIPEWPCMXEVKOGH-JTQLQIEISA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid (CID 107144689) is (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid is CCCC[C@H](NC(=O)C1CC=CC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid?
The InChIKey is IPEWPCMXEVKOGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-8-10(12(15)16)13-11(14)9-6-4-5-7-9/h4-5,9-10H,2-3,6-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid?
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid is sourced from PubChem (CID 107144689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).