3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate

C17H30N2O4 — CID 20657670

IUPAC3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate
SMILESCC(=O)C(C)OC(=O)C(C)C(NC(=O)C1CCCN1C)C(C)C
InChIInChI=1S/C17H30N2O4/c1-10(2)15(11(3)17(22)23-13(5)12(4)20)18-16(21)14-8-7-9-19(14)6/h10-11,13-15H,7-9H2,1-6H3,(H,18,21)
InChIKeyGKQVEQNSINZMEW-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.38
Rot. Bonds7

About 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate

3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate (PubChem CID 20657670) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Name3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate
PubChem CID20657670
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate
SMILESCC(=O)C(C)OC(=O)C(C)C(NC(=O)C1CCCN1C)C(C)C
InChIInChI=1S/C17H30N2O4/c1-10(2)15(11(3)17(22)23-13(5)12(4)20)18-16(21)14-8-7-9-19(14)6/h10-11,13-15H,7-9H2,1-6H3,(H,18,21)
InChIKeyGKQVEQNSINZMEW-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate with MolForge

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Related Compounds

(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
(2R)-N-acetyl-1-methylpyrrolidine-2-carboxamide
CID 90115350
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 115012177
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-1-[(2S)-2,3-dimethylbutanoyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 163895120
(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
CID 169278462
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
methyl 3-[(1-methylpyrrolidine-2-carbonyl)amino]-4-oxobutanoate
CID 59136309

Frequently Asked Questions

What is the IUPAC name of 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate?
The IUPAC name of 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate (CID 20657670) is 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate?
The canonical SMILES for 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate is CC(=O)C(C)OC(=O)C(C)C(NC(=O)C1CCCN1C)C(C)C.
What is the InChIKey of 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate?
The InChIKey is GKQVEQNSINZMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-10(2)15(11(3)17(22)23-13(5)12(4)20)18-16(21)14-8-7-9-19(14)6/h10-11,13-15H,7-9H2,1-6H3,(H,18,21).
What are the key properties of 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate?
3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate has a molecular weight of 326.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxobutan-2-yl 2,4-dimethyl-3-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 20657670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).