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

C15H21FN2O3 — CID 4222728

IUPAC2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-10(2)9-13(14(19)20)18-15(21)17-8-7-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyMHDABQYQBZBVNX-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.17
Rot. Bonds7

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

2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 4222728) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID4222728
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-10(2)9-13(14(19)20)18-15(21)17-8-7-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyMHDABQYQBZBVNX-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-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-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(2-fluorophenyl)pentanoic acid
CID 155171198
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 124682644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid (CID 4222728) is 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)NCCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is MHDABQYQBZBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)9-13(14(19)20)18-15(21)17-8-7-11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid?
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 4222728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).