(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid

C13H16N2O4 — CID 122116626

IUPAC(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ncccc1O
InChIInChI=1S/C13H16N2O4/c1-8-9(13(18)19)4-3-7-15(8)12(17)11-10(16)5-2-6-14-11/h2,5-6,8-9,16H,3-4,7H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyGOTCNOCMSOTGRT-RKDXNWHRSA-N
MW264.28 g/mol
LogP1.11
Rot. Bonds2

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

(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116626) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122116626
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ncccc1O
InChIInChI=1S/C13H16N2O4/c1-8-9(13(18)19)4-3-7-15(8)12(17)11-10(16)5-2-6-14-11/h2,5-6,8-9,16H,3-4,7H2,1H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyGOTCNOCMSOTGRT-RKDXNWHRSA-N
XLogP1.11
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2R,3R)-2-methyl-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116374
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(2R,3R)-2-methyl-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122114886
(2R,3R)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116249
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122116403
(3-hydroxy-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 79934857
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid (CID 122116626) is (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ncccc1O.
What is the InChIKey of (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is GOTCNOCMSOTGRT-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-9(13(18)19)4-3-7-15(8)12(17)11-10(16)5-2-6-14-11/h2,5-6,8-9,16H,3-4,7H2,1H3,(H,18,19)/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).