3-[(4-fluorobenzoyl)amino]propanoic acid

C10H10FNO3 — CID 3476861

IUPAC3-[(4-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyPJBOGHUSZFFYNT-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.03
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]propanoic acid

3-[(4-fluorobenzoyl)amino]propanoic acid (PubChem CID 3476861) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]propanoic acid
PubChem CID3476861
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name3-[(4-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyPJBOGHUSZFFYNT-UHFFFAOYSA-N
XLogP1.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluorobenzoyl)amino]propanoic 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 3-[(4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]propanoic acid (CID 3476861) is 3-[(4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is PJBOGHUSZFFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-fluorobenzoyl)amino]propanoic acid?
3-[(4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 211.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 3476861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).