2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid

C13H14FNO5 — CID 82324857

IUPAC2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO5/c1-8(13(19)20)15(7-6-11(16)17)12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeySPXXUZCGCANEGX-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid

2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid (PubChem CID 82324857) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
PubChem CID82324857
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO5/c1-8(13(19)20)15(7-6-11(16)17)12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeySPXXUZCGCANEGX-UHFFFAOYSA-N
XLogP1.22
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-carboxyethyl-(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

Related Compounds

2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
2-[4-[(4-fluorobenzoyl)amino]butanoyl-methylamino]propanoic acid
CID 119209675
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
3-[propan-2-yl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 119207584
4-[(4-hydroxybenzoyl)-propan-2-ylamino]butanoic acid
CID 54926331
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
3-[propan-2-yl-[4-(3,3,3-trifluoropropyl)benzoyl]amino]propanoic acid
CID 120520159
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid (CID 82324857) is 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid is CC(C(=O)O)N(CCC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is SPXXUZCGCANEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-8(13(19)20)15(7-6-11(16)17)12(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid?
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 283.25 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).