3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C14H24N2O3 — CID 128592950

IUPAC3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NC[C@H]1CCCO1)N1CCCC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-6-12(16)17)14(18)15-9-11-5-4-8-19-11/h10-11,13H,3-9H2,1-2H3,(H,15,18)/t11-,13?/m1/s1
InChIKeyFKEGRKKMERPYMB-JTDNENJMSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds5

About 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 128592950) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID128592950
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NC[C@H]1CCCO1)N1CCCC1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-6-12(16)17)14(18)15-9-11-5-4-8-19-11/h10-11,13H,3-9H2,1-2H3,(H,15,18)/t11-,13?/m1/s1
InChIKeyFKEGRKKMERPYMB-JTDNENJMSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
(2R)-3-methyl-2-[(4S)-1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93134876
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
(2R)-2-(5,6-difluorobenzimidazol-1-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94815576
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 128592950) is 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(C(=O)NC[C@H]1CCCO1)N1CCCC1=O.
What is the InChIKey of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is FKEGRKKMERPYMB-JTDNENJMSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)13(16-7-3-6-12(16)17)14(18)15-9-11-5-4-8-19-11/h10-11,13H,3-9H2,1-2H3,(H,15,18)/t11-,13?/m1/s1.
What are the key properties of 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 268.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 128592950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).