(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 61137109

IUPAC(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-6-8(2)14-11(16)10(7)12(17)15-5-3-4-9(15)13(18)19/h6,9H,3-5H2,1-2H3,(H,14,16)(H,18,19)/t9-/m0/s1
InChIKeyVWRMHVFUVFSKHV-VIFPVBQESA-N
MW264.28 g/mol
LogP0.68
Rot. Bonds2

About (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61137109) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61137109
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC[C@H]2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-7-6-8(2)14-11(16)10(7)12(17)15-5-3-4-9(15)13(18)19/h6,9H,3-5H2,1-2H3,(H,14,16)(H,18,19)/t9-/m0/s1
InChIKeyVWRMHVFUVFSKHV-VIFPVBQESA-N
XLogP0.68
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 61137109) is (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCC[C@H]2C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VWRMHVFUVFSKHV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-6-8(2)14-11(16)10(7)12(17)15-5-3-4-9(15)13(18)19/h6,9H,3-5H2,1-2H3,(H,14,16)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).