4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid

C12H15BrN2O5 — CID 107840288

IUPAC4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCOc1ccc(Br)c(NC(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C12H15BrN2O5/c1-20-7-2-3-8(13)9(6-7)15-12(19)14-5-4-10(16)11(17)18/h2-3,6,10,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBGPWHFVNRSOATE-UHFFFAOYSA-N
MW347.17 g/mol
LogP1.41
Rot. Bonds6

About 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107840288) has the molecular formula C12H15BrN2O5 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107840288
Molecular FormulaC12H15BrN2O5
Molecular Weight347.17 g/mol
Exact Mass346.02
IUPAC Name4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCOc1ccc(Br)c(NC(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C12H15BrN2O5/c1-20-7-2-3-8(13)9(6-7)15-12(19)14-5-4-10(16)11(17)18/h2-3,6,10,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBGPWHFVNRSOATE-UHFFFAOYSA-N
XLogP1.41
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(5-bromo-2-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839110
4-[(5-bromo-2,4-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841425
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
(2S)-3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007392
3-[(2-chloro-5-methoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66164907
2-hydroxy-4-[2-(3-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 107843133
(2S)-4-[(4-bromo-3-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841614
4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 77069957
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
CID 80545007
4-[(5-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007198
(2S)-2-hydroxy-4-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 107838027

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107840288) is 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid is COc1ccc(Br)c(NC(=O)NCCC(O)C(=O)O)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is BGPWHFVNRSOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O5/c1-20-7-2-3-8(13)9(6-7)15-12(19)14-5-4-10(16)11(17)18/h2-3,6,10,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 347.17 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).