(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid

C11H17NO3 — CID 89374193

IUPAC(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
SMILESC=CCCC(=O)N[C@H]1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12-9-6-5-8(7-9)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)/t8?,9-/m0/s1
InChIKeyWLGFLSDIZQDXAE-GKAPJAKFSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds5

About (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid

(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid (PubChem CID 89374193) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
PubChem CID89374193
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
SMILESC=CCCC(=O)N[C@H]1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12-9-6-5-8(7-9)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)/t8?,9-/m0/s1
InChIKeyWLGFLSDIZQDXAE-GKAPJAKFSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid (CID 89374193) is (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid is C=CCCC(=O)N[C@H]1CCC(C(=O)O)C1.
What is the InChIKey of (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WLGFLSDIZQDXAE-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-10(13)12-9-6-5-8(7-9)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid?
(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 89374193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).