2-(cyclohex-3-ene-1-carbonylamino)propanoic acid

C10H15NO3 — CID 24705199

IUPAC2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1CC=CCC1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyGWPJDZYZMSNFOR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds3

About 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid

2-(cyclohex-3-ene-1-carbonylamino)propanoic acid (PubChem CID 24705199) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
PubChem CID24705199
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
SMILESCC(NC(=O)C1CC=CCC1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyGWPJDZYZMSNFOR-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
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

2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
CID 24699400
2-(cyclohex-3-ene-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467873
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
methyl (2S)-2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-3,3-dimethylbutanoate
CID 95774290
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
CID 156676783
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid (CID 24705199) is 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The canonical SMILES for 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid is CC(NC(=O)C1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The InChIKey is GWPJDZYZMSNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-ene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 24705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).