2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide

C11H20N2O4 — CID 91429268

IUPAC2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O4/c1-3-8(10(12)15)13-6-7(4-9(13)14)5-11(2,16)17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,15)
InChIKeyFLXRDELKRUFLHY-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.81
Rot. Bonds5

About 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide

2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 91429268) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID91429268
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O4/c1-3-8(10(12)15)13-6-7(4-9(13)14)5-11(2,16)17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,15)
InChIKeyFLXRDELKRUFLHY-UHFFFAOYSA-N
XLogP-0.81
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide (CID 91429268) is 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(CC(C)(O)O)CC1=O.
What is the InChIKey of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is FLXRDELKRUFLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(10(12)15)13-6-7(4-9(13)14)5-11(2,16)17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 244.29 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 91429268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).