2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid

C13H17FN2O4 — CID 62474880

IUPAC2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(C)c1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O4/c1-16(11-6-4-3-5-9(11)14)13(19)15-10(12(17)18)7-8-20-2/h3-6,10H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCSXXPZRJLNLNBT-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.46
Rot. Bonds6

About 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid

2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62474880) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62474880
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N(C)c1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O4/c1-16(11-6-4-3-5-9(11)14)13(19)15-10(12(17)18)7-8-20-2/h3-6,10H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCSXXPZRJLNLNBT-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic 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-[[(2-fluorophenyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085236
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
CID 81087999
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 62480404
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
CID 81082348
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62478659

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid (CID 62474880) is 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)N(C)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is CSXXPZRJLNLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-16(11-6-4-3-5-9(11)14)13(19)15-10(12(17)18)7-8-20-2/h3-6,10H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid?
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 284.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62474880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).