4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid

C15H22FNO2 — CID 129304372

IUPAC4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid
SMILESNCC(CC(=O)O)C1C[C@H]2C=C(CC3(F)CC3)C[C@@H]12
InChIInChI=1S/C15H22FNO2/c16-15(1-2-15)7-9-3-10-5-13(12(10)4-9)11(8-17)6-14(18)19/h3,10-13H,1-2,4-8,17H2,(H,18,19)/t10-,11?,12-,13?/m1/s1
InChIKeyBNRWOVDWUGEVEF-CQLXCSJHSA-N
MW267.34 g/mol
LogP2.51
Rot. Bonds6

About 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid

4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid (PubChem CID 129304372) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid.

Molecular Properties

Compound Name4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid
PubChem CID129304372
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid
SMILESNCC(CC(=O)O)C1C[C@H]2C=C(CC3(F)CC3)C[C@@H]12
InChIInChI=1S/C15H22FNO2/c16-15(1-2-15)7-9-3-10-5-13(12(10)4-9)11(8-17)6-14(18)19/h3,10-13H,1-2,4-8,17H2,(H,18,19)/t10-,11?,12-,13?/m1/s1
InChIKeyBNRWOVDWUGEVEF-CQLXCSJHSA-N
XLogP2.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic 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 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid?
The IUPAC name of 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid (CID 129304372) is 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid.
What is the SMILES notation for 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid?
The canonical SMILES for 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid is NCC(CC(=O)O)C1C[C@H]2C=C(CC3(F)CC3)C[C@@H]12.
What is the InChIKey of 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid?
The InChIKey is BNRWOVDWUGEVEF-CQLXCSJHSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-15(1-2-15)7-9-3-10-5-13(12(10)4-9)11(8-17)6-14(18)19/h3,10-13H,1-2,4-8,17H2,(H,18,19)/t10-,11?,12-,13?/m1/s1.
What are the key properties of 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid?
4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid has a molecular weight of 267.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1R,5R)-3-[(1-fluorocyclopropyl)methyl]-6-bicyclo[3.2.0]hept-2-enyl]butanoic acid is sourced from PubChem (CID 129304372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).