2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid

C11H13BrN2O3 — CID 61266140

IUPAC2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccccc1Br)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyOYETVPHSZSWUTQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.43
Rot. Bonds3

About 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid

2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 61266140) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID61266140
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccccc1Br)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyOYETVPHSZSWUTQ-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61264191
2-[(2-bromophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536665
(2-bromophenyl)carbamic acid
CID 15021878
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
CID 61266732
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
1-(2-bromophenyl)-3-prop-1-en-2-ylurea
CID 108910399
2-[[(2-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473882
1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620
2-[(2-bromo-4-methyl-5-nitrophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104815405
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
N-(2-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 17173105

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid (CID 61266140) is 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid is CC(C)(NC(=O)Nc1ccccc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is OYETVPHSZSWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid?
2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 301.14 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61266140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).