(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid

C13H16N2O3 — CID 66263120

IUPAC(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cncc(C(=O)N2CCCC[C@H]2C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-9-6-10(8-14-7-9)12(16)15-5-3-2-4-11(15)13(17)18/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBUPQQUSCMARBHZ-NSHDSACASA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds2

About (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66263120) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID66263120
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cncc(C(=O)N2CCCC[C@H]2C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-9-6-10(8-14-7-9)12(16)15-5-3-2-4-11(15)13(17)18/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBUPQQUSCMARBHZ-NSHDSACASA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid (CID 66263120) is (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid is Cc1cncc(C(=O)N2CCCC[C@H]2C(=O)O)c1.
What is the InChIKey of (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is BUPQQUSCMARBHZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-6-10(8-14-7-9)12(16)15-5-3-2-4-11(15)13(17)18/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).