1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

C12H14N2O4 — CID 43355666

IUPAC1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC2C(=O)O)cc1=O
InChIInChI=1S/C12H14N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h4,6-7,9H,2-3,5H2,1H3,(H,17,18)
InChIKeyDKTPZRKQLBBTRE-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.07
Rot. Bonds2

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

1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43355666) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43355666
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC2C(=O)O)cc1=O
InChIInChI=1S/C12H14N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h4,6-7,9H,2-3,5H2,1H3,(H,17,18)
InChIKeyDKTPZRKQLBBTRE-UHFFFAOYSA-N
XLogP0.07
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 43355666) is 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is Cn1ccc(C(=O)N2CCCC2C(=O)O)cc1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DKTPZRKQLBBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h4,6-7,9H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).