4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C15H26N2O4 — CID 81208844

IUPAC4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CC(CO)OCC2C)CC1=O
InChIInChI=1S/C15H26N2O4/c1-10(2)5-16-6-12(4-14(16)19)15(20)17-7-13(8-18)21-9-11(17)3/h10-13,18H,4-9H2,1-3H3
InChIKeySWVPSTHUBRMZKC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.10
Rot. Bonds4

About 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 81208844) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID81208844
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CC(CO)OCC2C)CC1=O
InChIInChI=1S/C15H26N2O4/c1-10(2)5-16-6-12(4-14(16)19)15(20)17-7-13(8-18)21-9-11(17)3/h10-13,18H,4-9H2,1-3H3
InChIKeySWVPSTHUBRMZKC-UHFFFAOYSA-N
XLogP0.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
(2S)-4-hydroxy-1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 61152370
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 94053953
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
(2R)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 81205269
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686845

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 81208844) is 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(C(=O)N2CC(CO)OCC2C)CC1=O.
What is the InChIKey of 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is SWVPSTHUBRMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)5-16-6-12(4-14(16)19)15(20)17-7-13(8-18)21-9-11(17)3/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 298.38 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 81208844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).