(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid

C14H17NO4 — CID 122116461

IUPAC(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C14H17NO4/c1-9-10(14(18)19)6-4-8-15(9)13(17)11-5-2-3-7-12(11)16/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyWPWJBXGASAQGNX-NXEZZACHSA-N
MW263.29 g/mol
LogP1.72
Rot. Bonds2

About (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116461) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122116461
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C14H17NO4/c1-9-10(14(18)19)6-4-8-15(9)13(17)11-5-2-3-7-12(11)16/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyWPWJBXGASAQGNX-NXEZZACHSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(2S,3S)-1-(2-fluoro-3-methoxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116483
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205
(2-hydroxyphenyl)-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 84594199
(2R,3R)-1-(diphenylcarbamoyl)-2-methylpiperidine-3-carboxylic acid
CID 122105021
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
1-(4-chloro-2-hydroxybenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364519
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116738

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid (CID 122116461) is (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is WPWJBXGASAQGNX-NXEZZACHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-10(14(18)19)6-4-8-15(9)13(17)11-5-2-3-7-12(11)16/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).