(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C20H28N2O4 — CID 69474166

IUPAC(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C20H28N2O4/c1-13-11-16(18(23)21-10-6-9-17(21)20(25)26)19(24)22(14(13)2)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,25,26)/t17-/m1/s1
InChIKeyZUZYSYCYAVNQPV-QGZVFWFLSA-N
MW360.45 g/mol
LogP2.73
Rot. Bonds4

About (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 69474166) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID69474166
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(=O)n(CC2CCCCC2)c1C
InChIInChI=1S/C20H28N2O4/c1-13-11-16(18(23)21-10-6-9-17(21)20(25)26)19(24)22(14(13)2)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,25,26)/t17-/m1/s1
InChIKeyZUZYSYCYAVNQPV-QGZVFWFLSA-N
XLogP2.73
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 69474166) is (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(=O)n(CC2CCCCC2)c1C.
What is the InChIKey of (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZUZYSYCYAVNQPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-11-16(18(23)21-10-6-9-17(21)20(25)26)19(24)22(14(13)2)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12H2,1-2H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).