2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid

C11H11Br3N2O3 — CID 61266732

IUPAC2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)Nc1c(Br)cc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br3N2O3/c1-11(2,9(17)18)16-10(19)15-8-6(13)3-5(12)4-7(8)14/h3-4H,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyZMXHAVJLEVDQNM-UHFFFAOYSA-N
MW458.93 g/mol
LogP3.96
Rot. Bonds3

About 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid

2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid (PubChem CID 61266732) has the molecular formula C11H11Br3N2O3 and a molecular weight of 458.93 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
PubChem CID61266732
Molecular FormulaC11H11Br3N2O3
Molecular Weight458.93 g/mol
Exact Mass455.83
IUPAC Name2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)Nc1c(Br)cc(Br)cc1Br)C(=O)O
InChIInChI=1S/C11H11Br3N2O3/c1-11(2,9(17)18)16-10(19)15-8-6(13)3-5(12)4-7(8)14/h3-4H,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyZMXHAVJLEVDQNM-UHFFFAOYSA-N
XLogP3.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 79799059
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
3,3-dimethyl-2-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 61185874
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
2-[[3-bromo-5-(trifluoromethyl)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 65489251
1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266140
3,5-dibromo-2-(2-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 63112216
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
4-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 61184998
2-[(2-bromo-4-methyl-5-nitrophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104815405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid (CID 61266732) is 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid is CC(C)(NC(=O)Nc1c(Br)cc(Br)cc1Br)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid?
The InChIKey is ZMXHAVJLEVDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3N2O3/c1-11(2,9(17)18)16-10(19)15-8-6(13)3-5(12)4-7(8)14/h3-4H,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid?
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid has a molecular weight of 458.93 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61266732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).