(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C16H16N2O4 — CID 119370801

IUPAC(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1c(=O)cc(C(=O)N2CCC[C@@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O4/c1-17-12-6-3-2-5-10(12)11(9-14(17)19)15(20)18-8-4-7-13(18)16(21)22/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNTVMRNLCBKFWQU-CYBMUJFWSA-N
MW300.31 g/mol
LogP1.23
Rot. Bonds2

About (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370801) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370801
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1c(=O)cc(C(=O)N2CCC[C@@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O4/c1-17-12-6-3-2-5-10(12)11(9-14(17)19)15(20)18-8-4-7-13(18)16(21)22/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyNTVMRNLCBKFWQU-CYBMUJFWSA-N
XLogP1.23
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-2-oxoquinoline-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119135760
1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355915
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
2-(1-methyl-2-oxoquinolin-4-yl)piperidine-1,3-dicarboxylic acid
CID 91147266
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-methylquinolin-2-one
CID 55759750
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370801) is (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is Cn1c(=O)cc(C(=O)N2CCC[C@@H]2C(=O)O)c2ccccc21.
What is the InChIKey of (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NTVMRNLCBKFWQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-12-6-3-2-5-10(12)11(9-14(17)19)15(20)18-8-4-7-13(18)16(21)22/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).