2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid

C11H11Cl2NO4 — CID 61243638

IUPAC2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-9(1-2-15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18)
InChIKeyFABJELHFYANHPG-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid

2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 61243638) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID61243638
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-9(1-2-15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18)
InChIKeyFABJELHFYANHPG-UHFFFAOYSA-N
XLogP1.56
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43098910
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
(2R)-2-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107938205
(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107825070
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-4-hydroxybutanoic acid
CID 61244380

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid (CID 61243638) is 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is FABJELHFYANHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-9(1-2-15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid?
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 292.12 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).