4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid

C9H14N2O3 — CID 79208532

IUPAC4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeySVHIGTSJIXSOAJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.52
Rot. Bonds3

About 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208532) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79208532
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(N)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeySVHIGTSJIXSOAJ-UHFFFAOYSA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79208532) is 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid is CC(N)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is SVHIGTSJIXSOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(10)8(12)11-7-3-2-6(4-7)9(13)14/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).