(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C15H26N2O3 — CID 39729388

IUPAC(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11(2)5-6-17-10-12(8-14(17)18)15(19)16-9-13-4-3-7-20-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyKGHRPMWTZWSRIF-STQMWFEESA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds6

About (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 39729388) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID39729388
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-11(2)5-6-17-10-12(8-14(17)18)15(19)16-9-13-4-3-7-20-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t12-,13-/m0/s1
InChIKeyKGHRPMWTZWSRIF-STQMWFEESA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6463187
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 39729388) is (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is CC(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O.
What is the InChIKey of (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KGHRPMWTZWSRIF-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)5-6-17-10-12(8-14(17)18)15(19)16-9-13-4-3-7-20-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t12-,13-/m0/s1.
What are the key properties of (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 39729388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).