2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid

C13H17FN2O3 — CID 43619154

IUPAC2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-3-8-13(2,11(17)18)16-12(19)15-10-6-4-9(14)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCSUPGZCLXZZIHR-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.59
Rot. Bonds5

About 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid

2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid (PubChem CID 43619154) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
PubChem CID43619154
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-3-8-13(2,11(17)18)16-12(19)15-10-6-4-9(14)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyCSUPGZCLXZZIHR-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic 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-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-[(2,5-difluorophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 63792612
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618706
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
CID 61265165
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid (CID 43619154) is 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid?
The InChIKey is CSUPGZCLXZZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-8-13(2,11(17)18)16-12(19)15-10-6-4-9(14)5-7-10/h4-7H,3,8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid?
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid has a molecular weight of 268.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).