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

C11H20N2O6 — CID 91263774

IUPAC2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O6/c1-3-7(9(12)15)13-5-6(4-8(13)14)11(18,19)10(2,16)17/h6-7,16-19H,3-5H2,1-2H3,(H2,12,15)
InChIKeyHTIALUVDIGNJTP-UHFFFAOYSA-N
MW276.29 g/mol
LogP-2.52
Rot. Bonds5

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

2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide (PubChem CID 91263774) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
PubChem CID91263774
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C11H20N2O6/c1-3-7(9(12)15)13-5-6(4-8(13)14)11(18,19)10(2,16)17/h6-7,16-19H,3-5H2,1-2H3,(H2,12,15)
InChIKeyHTIALUVDIGNJTP-UHFFFAOYSA-N
XLogP-2.52
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide (CID 91263774) is 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(C(O)(O)C(C)(O)O)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
The InChIKey is HTIALUVDIGNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-7(9(12)15)13-5-6(4-8(13)14)11(18,19)10(2,16)17/h6-7,16-19H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide?
2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide has a molecular weight of 276.29 g/mol, XLogP of -2.52, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 91263774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).