(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid

C10H9BrClFN2O4 — CID 107841613

IUPAC(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClFN2O4/c11-5-1-4(13)2-6(12)8(5)15-10(19)14-3-7(16)9(17)18/h1-2,7,16H,3H2,(H,17,18)(H2,14,15,19)/t7-/m0/s1
InChIKeyZLJZQOGWNVWFRA-ZETCQYMHSA-N
MW355.55 g/mol
LogP1.81
Rot. Bonds4

About (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid

(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 107841613) has the molecular formula C10H9BrClFN2O4 and a molecular weight of 355.55 g/mol. Its IUPAC name is (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID107841613
Molecular FormulaC10H9BrClFN2O4
Molecular Weight355.55 g/mol
Exact Mass353.94
IUPAC Name(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClFN2O4/c11-5-1-4(13)2-6(12)8(5)15-10(19)14-3-7(16)9(17)18/h1-2,7,16H,3H2,(H,17,18)(H2,14,15,19)/t7-/m0/s1
InChIKeyZLJZQOGWNVWFRA-ZETCQYMHSA-N
XLogP1.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic 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-bromo-6-chloro-4-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107614568
(2S)-3-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838042
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486
(2S)-3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841588
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107829611
(2S)-3-[(2-chloro-6-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007759
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107614553
(2S)-3-[(2-bromo-5-chlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840607
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-cyclopropylpropanoic acid
CID 107614479

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid (CID 107841613) is (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid is O=C(NC[C@H](O)C(=O)O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is ZLJZQOGWNVWFRA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9BrClFN2O4/c11-5-1-4(13)2-6(12)8(5)15-10(19)14-3-7(16)9(17)18/h1-2,7,16H,3H2,(H,17,18)(H2,14,15,19)/t7-/m0/s1.
What are the key properties of (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 355.55 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107841613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).