(2R)-2-amino-2-(3-bromophenyl)acetic acid

C8H8BrNO2 — CID 7033009

IUPAC(2R)-2-amino-2-(3-bromophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1
InChIKeyMJPMYLPJAVQUQA-SSDOTTSWSA-N
MW230.06 g/mol
LogP1.53
Rot. Bonds2

About (2R)-2-amino-2-(3-bromophenyl)acetic acid

(2R)-2-amino-2-(3-bromophenyl)acetic acid (PubChem CID 7033009) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromophenyl)acetic acid
PubChem CID7033009
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name(2R)-2-amino-2-(3-bromophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1
InChIKeyMJPMYLPJAVQUQA-SSDOTTSWSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-2-(3-bromophenyl)acetic 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

2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
CID 172809734
CID 172809734
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(3-bromophenyl)acetic acid (CID 7033009) is (2R)-2-amino-2-(3-bromophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-bromophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(3-bromophenyl)acetic acid is N[C@@H](C(=O)O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-amino-2-(3-bromophenyl)acetic acid?
The InChIKey is MJPMYLPJAVQUQA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-bromophenyl)acetic acid?
(2R)-2-amino-2-(3-bromophenyl)acetic acid has a molecular weight of 230.06 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-bromophenyl)acetic acid is sourced from PubChem (CID 7033009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).