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

C11H21N3O5 — CID 91489626

IUPAC2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(C(O)(O)C(C)(N)O)CC1=O
InChIInChI=1S/C11H21N3O5/c1-3-7(9(12)16)14-5-6(4-8(14)15)11(18,19)10(2,13)17/h6-7,17-19H,3-5,13H2,1-2H3,(H2,12,16)
InChIKeyGOZIFUIGAKRNAU-UHFFFAOYSA-N
MW275.31 g/mol
LogP-2.55
Rot. Bonds5

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

2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 91489626) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID91489626
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(C(O)(O)C(C)(N)O)CC1=O
InChIInChI=1S/C11H21N3O5/c1-3-7(9(12)16)14-5-6(4-8(14)15)11(18,19)10(2,13)17/h6-7,17-19H,3-5,13H2,1-2H3,(H2,12,16)
InChIKeyGOZIFUIGAKRNAU-UHFFFAOYSA-N
XLogP-2.55
TPSA150.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-2.55
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-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide (CID 91489626) is 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(C(O)(O)C(C)(N)O)CC1=O.
What is the InChIKey of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is GOZIFUIGAKRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-7(9(12)16)14-5-6(4-8(14)15)11(18,19)10(2,13)17/h6-7,17-19H,3-5,13H2,1-2H3,(H2,12,16).
What are the key properties of 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide?
2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 275.31 g/mol, XLogP of -2.55, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,1,2-trihydroxypropyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 91489626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).