amino 2-oxopyrrolidine-1-carboxylate

C5H8N2O3 — CID 66977667

IUPACamino 2-oxopyrrolidine-1-carboxylate
SMILESNOC(=O)N1CCCC1=O
InChIInChI=1S/C5H8N2O3/c6-10-5(9)7-3-1-2-4(7)8/h1-3,6H2
InChIKeyIODZQKUHFUFJKO-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.38
Rot. Bonds

About amino 2-oxopyrrolidine-1-carboxylate

amino 2-oxopyrrolidine-1-carboxylate (PubChem CID 66977667) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is amino 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameamino 2-oxopyrrolidine-1-carboxylate
PubChem CID66977667
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Nameamino 2-oxopyrrolidine-1-carboxylate
SMILESNOC(=O)N1CCCC1=O
InChIInChI=1S/C5H8N2O3/c6-10-5(9)7-3-1-2-4(7)8/h1-3,6H2
InChIKeyIODZQKUHFUFJKO-UHFFFAOYSA-N
XLogP-0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 2-oxopyrrolidine-1-carboxylate 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 amino 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of amino 2-oxopyrrolidine-1-carboxylate (CID 66977667) is amino 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for amino 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for amino 2-oxopyrrolidine-1-carboxylate is NOC(=O)N1CCCC1=O.
What is the InChIKey of amino 2-oxopyrrolidine-1-carboxylate?
The InChIKey is IODZQKUHFUFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-10-5(9)7-3-1-2-4(7)8/h1-3,6H2.
What are the key properties of amino 2-oxopyrrolidine-1-carboxylate?
amino 2-oxopyrrolidine-1-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 66977667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).