3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid

C13H20N2O5 — CID 64889175

IUPAC3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)NC2(C(=O)O)CCOC2)CC1=O
InChIInChI=1S/C13H20N2O5/c1-8(2)15-6-9(5-10(15)16)11(17)14-13(12(18)19)3-4-20-7-13/h8-9H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyMLELFUXCEMZXKO-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.40
Rot. Bonds4

About 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid

3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889175) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889175
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)NC2(C(=O)O)CCOC2)CC1=O
InChIInChI=1S/C13H20N2O5/c1-8(2)15-6-9(5-10(15)16)11(17)14-13(12(18)19)3-4-20-7-13/h8-9H,3-7H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyMLELFUXCEMZXKO-UHFFFAOYSA-N
XLogP-0.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889175) is 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is CC(C)N1CC(C(=O)NC2(C(=O)O)CCOC2)CC1=O.
What is the InChIKey of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MLELFUXCEMZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8(2)15-6-9(5-10(15)16)11(17)14-13(12(18)19)3-4-20-7-13/h8-9H,3-7H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).