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

C10H18N2O6 — CID 91333838

IUPAC2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C10H18N2O6/c1-5(8(11)14)12-4-6(3-7(12)13)10(17,18)9(2,15)16/h5-6,15-18H,3-4H2,1-2H3,(H2,11,14)
InChIKeyJZTQJQLKWAPCKG-UHFFFAOYSA-N
MW262.26 g/mol
LogP-2.91
Rot. Bonds4

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

2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide (PubChem CID 91333838) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
PubChem CID91333838
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C10H18N2O6/c1-5(8(11)14)12-4-6(3-7(12)13)10(17,18)9(2,15)16/h5-6,15-18H,3-4H2,1-2H3,(H2,11,14)
InChIKeyJZTQJQLKWAPCKG-UHFFFAOYSA-N
XLogP-2.91
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-2.91
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]propanamide?
The IUPAC name of 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide (CID 91333838) is 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide is CC(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]propanamide?
The InChIKey is JZTQJQLKWAPCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-5(8(11)14)12-4-6(3-7(12)13)10(17,18)9(2,15)16/h5-6,15-18H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of 2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide?
2-[2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide has a molecular weight of 262.26 g/mol, XLogP of -2.91, 4 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]propanamide is sourced from PubChem (CID 91333838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).