2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid

C13H20N2O4 — CID 79265147

IUPAC2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H20N2O4/c1-4-5-14(8-12(17)18)13(19)10-6-11(16)15(7-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,17,18)
InChIKeyXIOOXNCIAOFYNP-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.34
Rot. Bonds6

About 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid

2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79265147) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79265147
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H20N2O4/c1-4-5-14(8-12(17)18)13(19)10-6-11(16)15(7-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,17,18)
InChIKeyXIOOXNCIAOFYNP-UHFFFAOYSA-N
XLogP0.34
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic 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 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid (CID 79265147) is 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is XIOOXNCIAOFYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-5-14(8-12(17)18)13(19)10-6-11(16)15(7-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3,(H,17,18).
What are the key properties of 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid?
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79265147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).