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

C11H11Cl2NO4 — CID 107834723

IUPAC(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-2-1-9(15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyCCTRMFQNFBJZEZ-VIFPVBQESA-N
MW292.12 g/mol
LogP1.56
Rot. Bonds5

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

(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107834723) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107834723
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-2-1-9(15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyCCTRMFQNFBJZEZ-VIFPVBQESA-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-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
4-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832772
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
3,5-dichloro-N-propylbenzamide
CID 2767298
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid (CID 107834723) is (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid is O=C(NCC[C@H](O)C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is CCTRMFQNFBJZEZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-7-3-6(4-8(13)5-7)10(16)14-2-1-9(15)11(17)18/h3-5,9,15H,1-2H2,(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-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 (2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).