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

C13H16N2O4 — CID 43170933

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC2C(=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)
InChIKeyVWRMHVFUVFSKHV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.68
Rot. Bonds2

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

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43170933) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43170933
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC2C(=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)
InChIKeyVWRMHVFUVFSKHV-UHFFFAOYSA-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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Related Compounds

8-[(1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909157
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 43355534
(2S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61137347
(2R)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 78920166
methyl (2S,4R)-4-{[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]amino}-1-methyl-2-pyrrolidinecarboxylate
CID 50975210
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54269835
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54283131
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54431635
(2S)-1-[(2S)-2-[(2,5-dimethylbenzene-4-ide-1-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;yttrium
CID 59696824
(2S,4R)-1-(3-aminopropanoyl)-4-(cyclohexa-1,5-diene-1-carbonylamino)pyrrolidine-2-carboxylic acid
CID 68203690
(3S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 68812487
6-[2-(methylamino)propanoylamino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 68812488

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43170933) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCCC2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VWRMHVFUVFSKHV-UHFFFAOYSA-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).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
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 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).