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

C17H24N2O4 — CID 69473526

IUPAC(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)O)c1=O
InChIInChI=1S/C17H24N2O4/c1-4-5-8-18-12(3)11(2)10-13(15(18)20)16(21)19-9-6-7-14(19)17(22)23/h10,14H,4-9H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyCBECMXVNXXFHLM-CQSZACIVSA-N
MW320.39 g/mol
LogP1.95
Rot. Bonds5

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

(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 69473526) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID69473526
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)O)c1=O
InChIInChI=1S/C17H24N2O4/c1-4-5-8-18-12(3)11(2)10-13(15(18)20)16(21)19-9-6-7-14(19)17(22)23/h10,14H,4-9H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyCBECMXVNXXFHLM-CQSZACIVSA-N
XLogP1.95
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 69473526) is (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is CCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)O)c1=O.
What is the InChIKey of (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CBECMXVNXXFHLM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-5-8-18-12(3)11(2)10-13(15(18)20)16(21)19-9-6-7-14(19)17(22)23/h10,14H,4-9H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69473526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).