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

C12H14ClNO4 — CID 107822930

IUPAC(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
SMILESCc1ccc(Cl)cc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyKBFIPCPLJFXNIR-SNVBAGLBSA-N
MW271.70 g/mol
LogP1.21
Rot. Bonds5

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

(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 107822930) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID107822930
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
SMILESCc1ccc(Cl)cc1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyKBFIPCPLJFXNIR-SNVBAGLBSA-N
XLogP1.21
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid (CID 107822930) is (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid is Cc1ccc(Cl)cc1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is KBFIPCPLJFXNIR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).