(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid

C10H10BrNO3 — CID 94771214

IUPAC(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
SMILESN[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H10BrNO3/c11-7-3-1-6(2-4-7)9(13)5-8(12)10(14)15/h1-4,8H,5,12H2,(H,14,15)/t8-/m1/s1
InChIKeyHYUXUFOOPRICFB-MRVPVSSYSA-N
MW272.10 g/mol
LogP1.43
Rot. Bonds4

About (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid

(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid (PubChem CID 94771214) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
PubChem CID94771214
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
SMILESN[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H10BrNO3/c11-7-3-1-6(2-4-7)9(13)5-8(12)10(14)15/h1-4,8H,5,12H2,(H,14,15)/t8-/m1/s1
InChIKeyHYUXUFOOPRICFB-MRVPVSSYSA-N
XLogP1.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic 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

(2S)-2-amino-6-(4-bromophenyl)-6-oxohexanoic acid
CID 106702640
(2R)-2-amino-4-(4-methylsulfanylphenyl)-4-oxobutanoic acid
CID 106702862
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
2-amino-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
CID 131874843
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
3-amino-1-(4-bromophenyl)-4-methoxybutan-1-one
CID 112629826
(2S)-2-amino-4-methyl-6-oxo-6-phenylhexanoic acid
CID 70525182
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
2-amino-4-oxo-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]butanoic acid
CID 70110345
(2S)-4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid
CID 683172
4-(4-bromophenyl)-2-methyl-1-phenylbutane-1,4-dione
CID 173018498
3-(4-bromophenyl)-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 46929386

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid (CID 94771214) is (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid is N[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid?
The InChIKey is HYUXUFOOPRICFB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-3-1-6(2-4-7)9(13)5-8(12)10(14)15/h1-4,8H,5,12H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid?
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid has a molecular weight of 272.10 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 94771214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).