(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid

C11H12ClNO5 — CID 114004943

IUPAC(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO5/c12-6-1-2-9(15)7(5-6)10(16)13-8(3-4-14)11(17)18/h1-2,5,8,14-15H,3-4H2,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyJVLPHIJTSYREGY-MRVPVSSYSA-N
MW273.67 g/mol
LogP0.61
Rot. Bonds5

About (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 114004943) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID114004943
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Name(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO5/c12-6-1-2-9(15)7(5-6)10(16)13-8(3-4-14)11(17)18/h1-2,5,8,14-15H,3-4H2,(H,13,16)(H,17,18)/t8-/m1/s1
InChIKeyJVLPHIJTSYREGY-MRVPVSSYSA-N
XLogP0.61
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
(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
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid (CID 114004943) is (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid is O=C(N[C@H](CCO)C(=O)O)c1cc(Cl)ccc1O.
What is the InChIKey of (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is JVLPHIJTSYREGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClNO5/c12-6-1-2-9(15)7(5-6)10(16)13-8(3-4-14)11(17)18/h1-2,5,8,14-15H,3-4H2,(H,13,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 273.67 g/mol, XLogP of 0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114004943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).