2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid

C11H12BrNO3 — CID 61262617

IUPAC2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cccc(Br)c1)C(=O)O
InChIInChI=1S/C11H12BrNO3/c1-11(2,10(15)16)13-9(14)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyUIGZLTVIRNNXED-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.04
Rot. Bonds3

About 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid

2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 61262617) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
PubChem CID61262617
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cccc(Br)c1)C(=O)O
InChIInChI=1S/C11H12BrNO3/c1-11(2,10(15)16)13-9(14)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyUIGZLTVIRNNXED-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
(2R)-2-[(3-bromobenzoyl)amino]-2-methyl-4-oxobutanoic acid
CID 54368955
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
(2R)-2-[(3-bromobenzoyl)amino]-2-methylpent-4-enoic acid
CID 57080201
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
3-bromobenzoic acid;ethane
CID 143530590
3-bromo-N-(3,3-dimethylbutan-2-yl)benzamide
CID 3434311
N-benzoyl-3-bromobenzamide
CID 118577200
(2S)-2-[(3-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143086
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid (CID 61262617) is 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is UIGZLTVIRNNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-11(2,10(15)16)13-9(14)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid?
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 286.12 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61262617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).