(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid

C14H16FNO3 — CID 95540195

IUPAC(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1ccc(F)cc1)C1CC1)C(=O)O
InChIInChI=1S/C14H16FNO3/c1-9(14(18)19)8-16(12-6-7-12)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyPPMQKLZGHCKEKH-SECBINFHSA-N
MW265.28 g/mol
LogP2.15
Rot. Bonds5

About (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 95540195) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID95540195
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1ccc(F)cc1)C1CC1)C(=O)O
InChIInChI=1S/C14H16FNO3/c1-9(14(18)19)8-16(12-6-7-12)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyPPMQKLZGHCKEKH-SECBINFHSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic 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

3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
3-[(4-fluorobenzoyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82324892
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316
3-[cyclopropyl(3,4-dihydro-1H-isochromene-6-carbonyl)amino]-2-methylpropanoic acid
CID 136552014
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
(2R)-3-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 124688962

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 95540195) is (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)c1ccc(F)cc1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is PPMQKLZGHCKEKH-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(14(18)19)8-16(12-6-7-12)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 95540195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).