2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid

C12H13NO4 — CID 105495827

IUPAC2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
SMILESO=C1CCC(O)C(c2ccccc2C(=O)O)N1
InChIInChI=1S/C12H13NO4/c14-9-5-6-10(15)13-11(9)7-3-1-2-4-8(7)12(16)17/h1-4,9,11,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyRLDGOCXNKJLAOC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.70
Rot. Bonds2

About 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid

2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid (PubChem CID 105495827) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
PubChem CID105495827
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
SMILESO=C1CCC(O)C(c2ccccc2C(=O)O)N1
InChIInChI=1S/C12H13NO4/c14-9-5-6-10(15)13-11(9)7-3-1-2-4-8(7)12(16)17/h1-4,9,11,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyRLDGOCXNKJLAOC-UHFFFAOYSA-N
XLogP0.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
2-(3,5-dioxopyrrolidin-2-yl)benzoic acid
CID 105473470
2-[(2R)-5-oxopyrrolidin-2-yl]sulfanylbenzoic acid
CID 1479389
(2S,3S)-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 82389062
2-(3,5-dioxopyrazolidin-4-yl)benzoic acid
CID 82045448
2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
CID 105475250
2-(5-oxomorpholin-2-yl)benzoic acid
CID 115032444
2-(3-hydroxy-1-methylpyrrolidin-2-yl)benzoic acid
CID 105477267
(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96607570
2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
CID 176550245
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid?
The IUPAC name of 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid (CID 105495827) is 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid.
What is the SMILES notation for 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid?
The canonical SMILES for 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid is O=C1CCC(O)C(c2ccccc2C(=O)O)N1.
What is the InChIKey of 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid?
The InChIKey is RLDGOCXNKJLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-9-5-6-10(15)13-11(9)7-3-1-2-4-8(7)12(16)17/h1-4,9,11,14H,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid?
2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid is sourced from PubChem (CID 105495827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).