(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid

C13H15NO4 — CID 30049767

IUPAC(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccccc2O)C1
InChIInChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)12(16)14-7-3-4-9(8-14)13(17)18/h1-2,5-6,9,15H,3-4,7-8H2,(H,17,18)/t9-/m1/s1
InChIKeyYXVYVFMHUHMVNL-SECBINFHSA-N
MW249.27 g/mol
LogP1.33
Rot. Bonds2

About (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid

(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 30049767) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
PubChem CID30049767
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccccc2O)C1
InChIInChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)12(16)14-7-3-4-9(8-14)13(17)18/h1-2,5-6,9,15H,3-4,7-8H2,(H,17,18)/t9-/m1/s1
InChIKeyYXVYVFMHUHMVNL-SECBINFHSA-N
XLogP1.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid (CID 30049767) is (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccccc2O)C1.
What is the InChIKey of (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is YXVYVFMHUHMVNL-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-6-2-1-5-10(11)12(16)14-7-3-4-9(8-14)13(17)18/h1-2,5-6,9,15H,3-4,7-8H2,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 30049767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).