2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid

C10H12BrNO3 — CID 130509235

IUPAC2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(Nc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-10(6-13,9(14)15)12-8-4-2-7(11)3-5-8/h2-5,12-13H,6H2,1H3,(H,14,15)
InChIKeyGMYYZRPTXZZYEJ-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid

2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid (PubChem CID 130509235) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid
PubChem CID130509235
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(Nc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H12BrNO3/c1-10(6-13,9(14)15)12-8-4-2-7(11)3-5-8/h2-5,12-13H,6H2,1H3,(H,14,15)
InChIKeyGMYYZRPTXZZYEJ-UHFFFAOYSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-(4-bromoanilino)-2,5-dimethylhexanoic acid
CID 60994545
2-(4-bromoanilino)-2-methylnonanoic acid
CID 60993267
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
2-anilino-2-methylpentanoic acid
CID 60992039
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
(2R)-2-[4-cyano-3-(trifluoromethyl)anilino]-3-hydroxy-2-methylpropanoic acid
CID 66980891
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
2-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
CID 67025353
2-(4-bromoanilino)acetic acid
CID 6917281
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid (CID 130509235) is 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid is CC(CO)(Nc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is GMYYZRPTXZZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-10(6-13,9(14)15)12-8-4-2-7(11)3-5-8/h2-5,12-13H,6H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid?
2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 130509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).