2-amino-3-(2-bromophenyl)-2-methylpropanoic acid

C10H12BrNO2 — CID 53401931

IUPAC2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C10H12BrNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyCEQZLKYRAINNIW-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid

2-amino-3-(2-bromophenyl)-2-methylpropanoic acid (PubChem CID 53401931) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
PubChem CID53401931
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C10H12BrNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyCEQZLKYRAINNIW-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043
diethyl 2-bromo-2-[(2-bromophenyl)methyl]propanedioate
CID 175600018
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
2-[(2-bromophenyl)methyl]-2-ethoxycarbonylpentanoic acid
CID 103974175
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid (CID 53401931) is 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid is CC(N)(Cc1ccccc1Br)C(=O)O.
What is the InChIKey of 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid?
The InChIKey is CEQZLKYRAINNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid?
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid has a molecular weight of 258.11 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 53401931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).