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

C9H13NO3 — CID 64767078

IUPAC3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CC=CC1
InChIInChI=1S/C9H13NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12)
InChIKeyANLYUZPZIUIIOV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds4

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

3-(cyclopent-3-ene-1-carbonylamino)propanoic acid (PubChem CID 64767078) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
PubChem CID64767078
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CC=CC1
InChIInChI=1S/C9H13NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12)
InChIKeyANLYUZPZIUIIOV-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
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-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
5-(cyclopent-3-ene-1-carbonylamino)pentanoic acid
CID 64766388
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
2-[[2-(cyclopent-3-ene-1-carbonylamino)acetyl]amino]acetic acid
CID 64767260
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731
N-(3-azidopropyl)cyclopent-3-ene-1-carboxamide
CID 64766321
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
CID 81369711
N-(2-bromo-2,2-difluoroethyl)cyclopent-3-ene-1-carboxamide
CID 131089537
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
3-[[4-(acetamidomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 23790627
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid (CID 64767078) is 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1CC=CC1.
What is the InChIKey of 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
The InChIKey is ANLYUZPZIUIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,10,13)(H,11,12).
What are the key properties of 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid?
3-(cyclopent-3-ene-1-carbonylamino)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-ene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 64767078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).