3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C11H12Br2N2O4 — CID 66176576

IUPAC3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C11H12Br2N2O4/c1-11(19,9(16)17)5-14-10(18)15-8-4-6(12)2-3-7(8)13/h2-4,19H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPMXDNZHBQYJJLF-UHFFFAOYSA-N
MW396.04 g/mol
LogP2.17
Rot. Bonds4

About 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176576) has the molecular formula C11H12Br2N2O4 and a molecular weight of 396.04 g/mol. Its IUPAC name is 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176576
Molecular FormulaC11H12Br2N2O4
Molecular Weight396.04 g/mol
Exact Mass393.92
IUPAC Name3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Nc1cc(Br)ccc1Br)C(=O)O
InChIInChI=1S/C11H12Br2N2O4/c1-11(19,9(16)17)5-14-10(18)15-8-4-6(12)2-3-7(8)13/h2-4,19H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPMXDNZHBQYJJLF-UHFFFAOYSA-N
XLogP2.17
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
3-[(2-bromo-4-nitrophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107810900
3-[(2-bromo-5-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107628841
4-[(2,5-dibromophenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300088
2-[(2,5-dibromophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61468055
4-bromo-2-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 61207874
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 104780103
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576263
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
2-[[(2,5-dibromophenyl)carbamoylamino]methyl]butanoic acid
CID 65223594
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 66176576) is 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Nc1cc(Br)ccc1Br)C(=O)O.
What is the InChIKey of 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is PMXDNZHBQYJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O4/c1-11(19,9(16)17)5-14-10(18)15-8-4-6(12)2-3-7(8)13/h2-4,19H,5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 396.04 g/mol, XLogP of 2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).