2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid

C11H11BrClNO4 — CID 61244022

IUPAC2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18)
InChIKeyRKKBBIFLJBIFDF-UHFFFAOYSA-N
MW336.57 g/mol
LogP1.67
Rot. Bonds5

About 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid

2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 61244022) has the molecular formula C11H11BrClNO4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID61244022
Molecular FormulaC11H11BrClNO4
Molecular Weight336.57 g/mol
Exact Mass334.96
IUPAC Name2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18)
InChIKeyRKKBBIFLJBIFDF-UHFFFAOYSA-N
XLogP1.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 93302632
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005382
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
CID 43405671
(2S)-2-[(3-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004845
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid (CID 61244022) is 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is RKKBBIFLJBIFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid?
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 336.57 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).