(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid

C13H14ClNO4 — CID 106500348

IUPAC(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c14-10-5-4-8(16)7-9(10)12(17)15-6-2-1-3-11(15)13(18)19/h4-5,7,11,16H,1-3,6H2,(H,18,19)/t11-/m1/s1
InChIKeyDBEFUYOJDQKHSR-LLVKDONJSA-N
MW283.71 g/mol
LogP2.12
Rot. Bonds2

About (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid

(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid (PubChem CID 106500348) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
PubChem CID106500348
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c14-10-5-4-8(16)7-9(10)12(17)15-6-2-1-3-11(15)13(18)19/h4-5,7,11,16H,1-3,6H2,(H,18,19)/t11-/m1/s1
InChIKeyDBEFUYOJDQKHSR-LLVKDONJSA-N
XLogP2.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 106501693
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
CID 106501014
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
(2S)-1-(4-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 66263977
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(4-bromo-2-chlorobenzoyl)azepane-2-carboxylic acid
CID 64558775
(2S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-2-carboxylic acid
CID 66264568
1-(2-chloro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 43387148
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid (CID 106500348) is (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid?
The InChIKey is DBEFUYOJDQKHSR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-10-5-4-8(16)7-9(10)12(17)15-6-2-1-3-11(15)13(18)19/h4-5,7,11,16H,1-3,6H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 106500348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).