2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide

C10H19N3O6 — CID 91193649

IUPAC2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(N)O)CC1=O
InChIInChI=1S/C10H19N3O6/c1-5(7(11)15)13-4-9(17,3-6(13)14)10(18,19)8(2,12)16/h5,16-19H,3-4,12H2,1-2H3,(H2,11,15)
InChIKeyWRWPRAOCBWGEDF-UHFFFAOYSA-N
MW277.28 g/mol
LogP-3.83
Rot. Bonds4

About 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide

2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 91193649) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide
PubChem CID91193649
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CC(O)(C(O)(O)C(C)(N)O)CC1=O
InChIInChI=1S/C10H19N3O6/c1-5(7(11)15)13-4-9(17,3-6(13)14)10(18,19)8(2,12)16/h5,16-19H,3-4,12H2,1-2H3,(H2,11,15)
InChIKeyWRWPRAOCBWGEDF-UHFFFAOYSA-N
XLogP-3.83
TPSA170.34 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.28
LogP ≤ 5-3.83
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-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide (CID 91193649) is 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide is CC(C(N)=O)N1CC(O)(C(O)(O)C(C)(N)O)CC1=O.
What is the InChIKey of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is WRWPRAOCBWGEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-5(7(11)15)13-4-9(17,3-6(13)14)10(18,19)8(2,12)16/h5,16-19H,3-4,12H2,1-2H3,(H2,11,15).
What are the key properties of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide?
2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 277.28 g/mol, XLogP of -3.83, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-4-hydroxy-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 91193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).