4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid

C14H17FN2O3 — CID 122023173

IUPAC4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN2O3/c15-11-4-1-3-10(9-11)14(6-7-14)17-13(20)16-8-2-5-12(18)19/h1,3-4,9H,2,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyDSCZBZRWHUVQJT-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds6

About 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid

4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid (PubChem CID 122023173) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
PubChem CID122023173
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C14H17FN2O3/c15-11-4-1-3-10(9-11)14(6-7-14)17-13(20)16-8-2-5-12(18)19/h1,3-4,9H,2,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyDSCZBZRWHUVQJT-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]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

Related Compounds

4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
CID 110469237
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469918
N-[3-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]propyl]formamide
CID 110491003
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid?
The IUPAC name of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid (CID 122023173) is 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid?
The canonical SMILES for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid?
The InChIKey is DSCZBZRWHUVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-4-1-3-10(9-11)14(6-7-14)17-13(20)16-8-2-5-12(18)19/h1,3-4,9H,2,5-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid?
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 122023173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).