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

C10H15NO3 — CID 24699989

IUPAC3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C10H15NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14)(H,12,13)
InChIKeyREHYKHFGFJOUQG-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds4

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

3-(cyclohex-3-ene-1-carbonylamino)propanoic acid (PubChem CID 24699989) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
PubChem CID24699989
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C10H15NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14)(H,12,13)
InChIKeyREHYKHFGFJOUQG-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
CID 64767078
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
5-(cyclopent-3-ene-1-carbonylamino)pentanoic acid
CID 64766388
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
3-[(cyclohex-3-ene-1-carbonylamino)methyl]pentanoic acid
CID 81066101
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
N-(2-piperidin-4-yloxyethyl)cyclohex-3-ene-1-carboxamide
CID 63870773

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The IUPAC name of 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid (CID 24699989) is 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
The InChIKey is REHYKHFGFJOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14)(H,12,13).
What are the key properties of 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid?
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-ene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 24699989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).