4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid

C11H18N2O3 — CID 79207976

IUPAC4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H18N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h4-5,8-9H,2-3,6-7,12H2,1H3,(H,14,15)
InChIKeyRPWNSSFPDLBZHJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.21
Rot. Bonds5

About 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid

4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid (PubChem CID 79207976) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
PubChem CID79207976
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H18N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h4-5,8-9H,2-3,6-7,12H2,1H3,(H,14,15)
InChIKeyRPWNSSFPDLBZHJ-UHFFFAOYSA-N
XLogP0.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
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-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid (CID 79207976) is 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid?
The InChIKey is RPWNSSFPDLBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(6-2-3-10(14)15)11(16)8-4-5-9(12)7-8/h4-5,8-9H,2-3,6-7,12H2,1H3,(H,14,15).
What are the key properties of 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid?
4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 79207976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).