(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid

C14H17NO6 — CID 107831579

IUPAC(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
SMILESCc1ccc(O)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-8-5-6-11(16)9(7-8)13(19)15-10(14(20)21)3-2-4-12(17)18/h5-7,10,16H,2-4H2,1H3,(H,15,19)(H,17,18)(H,20,21)/t10-/m1/s1
InChIKeyPXKXVJNSOXBVKA-SNVBAGLBSA-N
MW295.29 g/mol
LogP1.14
Rot. Bonds7

About (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid

(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid (PubChem CID 107831579) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
PubChem CID107831579
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
SMILESCc1ccc(O)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-8-5-6-11(16)9(7-8)13(19)15-10(14(20)21)3-2-4-12(17)18/h5-7,10,16H,2-4H2,1H3,(H,15,19)(H,17,18)(H,20,21)/t10-/m1/s1
InChIKeyPXKXVJNSOXBVKA-SNVBAGLBSA-N
XLogP1.14
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
2-[(2-bromo-5-methylbenzoyl)amino]pentanedioic acid
CID 81110365
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]hexanedioic acid
CID 107981579
(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid (CID 107831579) is (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid is Cc1ccc(O)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid?
The InChIKey is PXKXVJNSOXBVKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO6/c1-8-5-6-11(16)9(7-8)13(19)15-10(14(20)21)3-2-4-12(17)18/h5-7,10,16H,2-4H2,1H3,(H,15,19)(H,17,18)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid?
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid has a molecular weight of 295.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid is sourced from PubChem (CID 107831579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).