methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate

C18H26N2O4 — CID 69474165

IUPACmethyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)OC)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-6-9-19-13(3)12(2)11-14(16(19)21)17(22)20-10-7-8-15(20)18(23)24-4/h11,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyPVVNMVVZBPPDIY-OAHLLOKOSA-N
MW334.42 g/mol
LogP2.04
Rot. Bonds5

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

methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 69474165) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID69474165
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)OC)c1=O
InChIInChI=1S/C18H26N2O4/c1-5-6-9-19-13(3)12(2)11-14(16(19)21)17(22)20-10-7-8-15(20)18(23)24-4/h11,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyPVVNMVVZBPPDIY-OAHLLOKOSA-N
XLogP2.04
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,4R)-4-(dimethylamino)-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxylate
CID 50963383
methyl (2S,4R)-4-{[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]amino}-1-methyl-2-pyrrolidinecarboxylate
CID 50975210
methyl 8-acetyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 15119899
methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975102
Methyl 1-[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]pyrrolidine-2-carboxylate
CID 67520106
(2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 69473526
(2S)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 69474147
(2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 69474166
methyl (2R)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylate
CID 69474178
methyl (2S)-1-[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]pyrrolidine-2-carboxylate
CID 69475155
methyl (2S)-1-[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]pyrrolidine-2-carboxylate
CID 69475504
methyl (2S)-2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)-methylamino]-3-methylpentanoate
CID 89503068

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 69474165) is methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate is CCCCn1c(C)c(C)cc(C(=O)N2CCC[C@@H]2C(=O)OC)c1=O.
What is the InChIKey of methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PVVNMVVZBPPDIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-6-9-19-13(3)12(2)11-14(16(19)21)17(22)20-10-7-8-15(20)18(23)24-4/h11,15H,5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 69474165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).