(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid

C11H11ClFNO4 — CID 114005057

IUPAC(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO4/c12-8-5-6(13)1-2-7(8)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyYTKVQXQVXDHBTE-SECBINFHSA-N
MW275.66 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 114005057) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID114005057
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO4/c12-8-5-6(13)1-2-7(8)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyYTKVQXQVXDHBTE-SECBINFHSA-N
XLogP1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107821847
2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244237
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004822
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid (CID 114005057) is (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid is O=C(N[C@H](CCO)C(=O)O)c1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is YTKVQXQVXDHBTE-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c12-8-5-6(13)1-2-7(8)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4H2,(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 275.66 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).