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

C10H18N2O7 — CID 91283733

IUPAC2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C10H18N2O7/c1-5(7(11)14)12-4-9(17,3-6(12)13)10(18,19)8(2,15)16/h5,15-19H,3-4H2,1-2H3,(H2,11,14)
InChIKeyBNNZMBJGGYPCFL-UHFFFAOYSA-N
MW278.26 g/mol
LogP-3.79
Rot. Bonds4

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

2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide (PubChem CID 91283733) has the molecular formula C10H18N2O7 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
PubChem CID91283733
Molecular FormulaC10H18N2O7
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(O)O)CC1=O
InChIInChI=1S/C10H18N2O7/c1-5(7(11)14)12-4-9(17,3-6(12)13)10(18,19)8(2,15)16/h5,15-19H,3-4H2,1-2H3,(H2,11,14)
InChIKeyBNNZMBJGGYPCFL-UHFFFAOYSA-N
XLogP-3.79
TPSA164.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.26
LogP ≤ 5-3.79
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]propanamide?
The IUPAC name of 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide (CID 91283733) is 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide is CC(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]propanamide?
The InChIKey is BNNZMBJGGYPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7/c1-5(7(11)14)12-4-9(17,3-6(12)13)10(18,19)8(2,15)16/h5,15-19H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of 2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide?
2-[4-hydroxy-2-oxo-4-(1,1,2,2-tetrahydroxypropyl)pyrrolidin-1-yl]propanamide has a molecular weight of 278.26 g/mol, XLogP of -3.79, 4 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]propanamide is sourced from PubChem (CID 91283733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).