(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid

C22H24N4O6 — CID 160516256

IUPAC(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)[C@@H]1c1cccnc1.CN1C(=O)C[C@H](C(=O)O)C1c1cccnc1
InChIInChI=1S/2C11H12N2O3/c2*1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2*2-4,6,8,10H,5H2,1H3,(H,15,16)/t8?,10-;8-,10?/m00/s1
InChIKeyQTRSIDFRRQTXJS-JYIIOIMOSA-N
MW440.46 g/mol
LogP1.37
Rot. Bonds4

About (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid

(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 160516256) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
PubChem CID160516256
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)[C@@H]1c1cccnc1.CN1C(=O)C[C@H](C(=O)O)C1c1cccnc1
InChIInChI=1S/2C11H12N2O3/c2*1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2*2-4,6,8,10H,5H2,1H3,(H,15,16)/t8?,10-;8-,10?/m00/s1
InChIKeyQTRSIDFRRQTXJS-JYIIOIMOSA-N
XLogP1.37
TPSA141.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
2-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetic acid
CID 96597128
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584260
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 56806046
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid (CID 160516256) is (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid is CN1C(=O)CC(C(=O)O)[C@@H]1c1cccnc1.CN1C(=O)C[C@H](C(=O)O)C1c1cccnc1.
What is the InChIKey of (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is QTRSIDFRRQTXJS-JYIIOIMOSA-N. The full InChI is InChI=1S/2C11H12N2O3/c2*1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2*2-4,6,8,10H,5H2,1H3,(H,15,16)/t8?,10-;8-,10?/m00/s1.
What are the key properties of (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 440.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 160516256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).