2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid

C13H20N2O3 — CID 79276507

IUPAC2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2O3/c1-2-7-15(8-11(16)17)13(18)14-12(9-3-4-9)10-5-6-10/h2,9-10,12H,1,3-8H2,(H,14,18)(H,16,17)
InChIKeyURQKECAEVLHICA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.46
Rot. Bonds7

About 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid

2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79276507) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
PubChem CID79276507
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2O3/c1-2-7-15(8-11(16)17)13(18)14-12(9-3-4-9)10-5-6-10/h2,9-10,12H,1,3-8H2,(H,14,18)(H,16,17)
InChIKeyURQKECAEVLHICA-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]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-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid (CID 79276507) is 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is URQKECAEVLHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-7-15(8-11(16)17)13(18)14-12(9-3-4-9)10-5-6-10/h2,9-10,12H,1,3-8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid?
2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dicyclopropylmethylcarbamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).