2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide

C11H20N2O7 — CID 91492700

IUPAC2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O7/c1-3-6(8(12)15)13-5-10(18,4-7(13)14)11(19,20)9(2,16)17/h6,16-20H,3-5H2,1-2H3,(H2,12,15)
InChIKeyHIGRINBRAGHAEI-UHFFFAOYSA-N
MW292.29 g/mol
LogP-3.40
Rot. Bonds5

About 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide

2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide (PubChem CID 91492700) has the molecular formula C11H20N2O7 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
PubChem CID91492700
Molecular FormulaC11H20N2O7
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O7/c1-3-6(8(12)15)13-5-10(18,4-7(13)14)11(19,20)9(2,16)17/h6,16-20H,3-5H2,1-2H3,(H2,12,15)
InChIKeyHIGRINBRAGHAEI-UHFFFAOYSA-N
XLogP-3.40
TPSA164.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.29
LogP ≤ 5-3.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide (CID 91492700) is 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(O)O)CC1=O.
What is the InChIKey of 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The InChIKey is HIGRINBRAGHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O7/c1-3-6(8(12)15)13-5-10(18,4-7(13)14)11(19,20)9(2,16)17/h6,16-20H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide has a molecular weight of 292.29 g/mol, XLogP of -3.40, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 91492700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).