azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid

C6H12N2O3 — CID 175290207

IUPACazane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)C1=O.N
InChIInChI=1S/C6H9NO3.H3N/c1-4-2-3-7(5(4)8)6(9)10;/h4H,2-3H2,1H3,(H,9,10);1H3
InChIKeyHOZZGOOYXAEZRQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.69
Rot. Bonds

About azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid

azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid (PubChem CID 175290207) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Nameazane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
PubChem CID175290207
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameazane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
SMILESCC1CCN(C(=O)O)C1=O.N
InChIInChI=1S/C6H9NO3.H3N/c1-4-2-3-7(5(4)8)6(9)10;/h4H,2-3H2,1H3,(H,9,10);1H3
InChIKeyHOZZGOOYXAEZRQ-UHFFFAOYSA-N
XLogP0.69
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid (CID 175290207) is azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid is CC1CCN(C(=O)O)C1=O.N.
What is the InChIKey of azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is HOZZGOOYXAEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.H3N/c1-4-2-3-7(5(4)8)6(9)10;/h4H,2-3H2,1H3,(H,9,10);1H3.
What are the key properties of azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid?
azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175290207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).