(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid

C9H9BrN2O4 — CID 90098257

IUPAC(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C9H9BrN2O4/c1-9(11,8(13)14)5-2-3-7(12(15)16)6(10)4-5/h2-4H,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGMQAIEGPQXSIQE-SECBINFHSA-N
MW289.09 g/mol
LogP1.62
Rot. Bonds3

About (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid

(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid (PubChem CID 90098257) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid
PubChem CID90098257
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC Name(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C9H9BrN2O4/c1-9(11,8(13)14)5-2-3-7(12(15)16)6(10)4-5/h2-4H,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGMQAIEGPQXSIQE-SECBINFHSA-N
XLogP1.62
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-nitrophenyl)-2-methylpropanenitrile
CID 170357683
2-amino-2-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 82135336
(2R)-2-amino-2-(3-bromo-5-nitrophenyl)propanoic acid
CID 66665328
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2-methyl-2-(3-methyl-4-nitrophenyl)butanoic acid
CID 67439679
dimethyl 2-(3-bromo-4-nitrophenyl)propanedioate
CID 59771304
2-bromo-4-tert-butyl-6-nitrophenol acetate
CID 170453400
(2S)-2-amino-3-[3-(carboxymethyl)-4-nitrophenyl]-2-methylpropanoic acid;hydrochloride
CID 70608404
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
3-amino-N-(3-bromo-4-nitrophenyl)-4,4-dimethylpentanamide
CID 82864988
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
CID 171371571
CID 171371571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid (CID 90098257) is (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid is C[C@](N)(C(=O)O)c1ccc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid?
The InChIKey is GMQAIEGPQXSIQE-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-9(11,8(13)14)5-2-3-7(12(15)16)6(10)4-5/h2-4H,11H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid?
(2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid has a molecular weight of 289.09 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-bromo-4-nitrophenyl)propanoic acid is sourced from PubChem (CID 90098257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).