2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

C11H12BrClN2O4 — CID 103480767

IUPAC2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1cccc(Cl)c1Br)NC(CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-9-6(13)2-1-3-7(9)14-11(19)15-8(4-5-16)10(17)18/h1-3,8,16H,4-5H2,(H,17,18)(H2,14,15,19)
InChIKeyZJUOHNQKVFQLHU-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.06
Rot. Bonds5

About 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 103480767) has the molecular formula C11H12BrClN2O4 and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID103480767
Molecular FormulaC11H12BrClN2O4
Molecular Weight351.58 g/mol
Exact Mass349.97
IUPAC Name2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1cccc(Cl)c1Br)NC(CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-9-6(13)2-1-3-7(9)14-11(19)15-8(4-5-16)10(17)18/h1-3,8,16H,4-5H2,(H,17,18)(H2,14,15,19)
InChIKeyZJUOHNQKVFQLHU-UHFFFAOYSA-N
XLogP2.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556
(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005382
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828516
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103480819
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915
(2S)-2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825780
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005952
2-[(2-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61229493

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (CID 103480767) is 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is O=C(Nc1cccc(Cl)c1Br)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is ZJUOHNQKVFQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O4/c12-9-6(13)2-1-3-7(9)14-11(19)15-8(4-5-16)10(17)18/h1-3,8,16H,4-5H2,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 351.58 g/mol, XLogP of 2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 103480767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).