(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid

C13H14BrNO4 — CID 114103310

IUPAC(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H14BrNO4/c14-9-5-4-8(7-11(9)16)12(17)15-6-2-1-3-10(15)13(18)19/h4-5,7,10,16H,1-3,6H2,(H,18,19)/t10-/m1/s1
InChIKeyIPDWGXBYJKWMHM-SNVBAGLBSA-N
MW328.16 g/mol
LogP2.23
Rot. Bonds2

About (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid

(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 114103310) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
PubChem CID114103310
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H14BrNO4/c14-9-5-4-8(7-11(9)16)12(17)15-6-2-1-3-10(15)13(18)19/h4-5,7,10,16H,1-3,6H2,(H,18,19)/t10-/m1/s1
InChIKeyIPDWGXBYJKWMHM-SNVBAGLBSA-N
XLogP2.23
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
1-(3-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 107812953
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
(2S)-1-(2H-benzotriazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66263146
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid (CID 114103310) is (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is IPDWGXBYJKWMHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14BrNO4/c14-9-5-4-8(7-11(9)16)12(17)15-6-2-1-3-10(15)13(18)19/h4-5,7,10,16H,1-3,6H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 328.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114103310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).