N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C11H20N2O4 — CID 103876710

IUPACN-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOCC(O)CCNC(=O)CN1CCCC1=O
InChIInChI=1S/C11H20N2O4/c1-17-8-9(14)4-5-12-10(15)7-13-6-2-3-11(13)16/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyNJKPPIKYFHHRKH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.88
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 103876710) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID103876710
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOCC(O)CCNC(=O)CN1CCCC1=O
InChIInChI=1S/C11H20N2O4/c1-17-8-9(14)4-5-12-10(15)7-13-6-2-3-11(13)16/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyNJKPPIKYFHHRKH-UHFFFAOYSA-N
XLogP-0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-oxopyrrolidin-1-yl)-N-propylbutanamide
CID 23342865
N-n-butyl-alpha-(2-hydroxyethyl)-2-oxo-1-pyrrolidineacetamide
CID 23342869
4-hydroxy-2-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbutanamide
CID 23342873
1-[2-(1,3,4-Trihydroxybutylamino)ethyl]pyrrolidin-2-one
CID 70375079
N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide
CID 141301701
N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide
CID 172858882
N-[(3S)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide
CID 172858883
Methyl 4-[[2-(3-hydroxypyrrolidin-1-yl)acetyl]amino]butanoate
CID 55132898
4-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 61583441
Methyl 4-[[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]amino]butanoate
CID 62014201
N-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62015573
4-[[2-[(2-Hydroxy-3-methoxypropyl)-methylamino]acetyl]amino]butanoic acid
CID 62015758

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 103876710) is N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide is COCC(O)CCNC(=O)CN1CCCC1=O.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is NJKPPIKYFHHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-8-9(14)4-5-12-10(15)7-13-6-2-3-11(13)16/h9,14H,2-8H2,1H3,(H,12,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 244.29 g/mol, XLogP of -0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103876710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).