(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid

C17H18N2O4 — CID 122115205

IUPAC(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H18N2O4/c1-10-12(17(22)23)6-4-8-19(10)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,22,23)/t10-,12-/m1/s1
InChIKeyJPPXSXGKCOEKDV-ZYHUDNBSSA-N
MW314.34 g/mol
LogP1.85
Rot. Bonds2

About (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122115205) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID122115205
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H18N2O4/c1-10-12(17(22)23)6-4-8-19(10)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,22,23)/t10-,12-/m1/s1
InChIKeyJPPXSXGKCOEKDV-ZYHUDNBSSA-N
XLogP1.85
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
(2R,3R)-2-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115003
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
3-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94026029
(2R,3R)-1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115720
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid (CID 122115205) is (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JPPXSXGKCOEKDV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-12(17(22)23)6-4-8-19(10)16(21)13-9-11-5-2-3-7-14(11)18-15(13)20/h2-3,5,7,9-10,12H,4,6,8H2,1H3,(H,18,20)(H,22,23)/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122115205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).