1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate

C12H20N2O6 — CID 20659229

IUPAC1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate
SMILESC=CC(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC
InChIInChI=1S/C12H20N2O6/c1-5-10(15)19-7-6-13-12(17)14-8(2)11(16)20-9(3)18-4/h5,8-9H,1,6-7H2,2-4H3,(H2,13,14,17)
InChIKeyOJQIKBRWBSDZPN-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.06
Rot. Bonds8

About 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate

1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate (PubChem CID 20659229) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate.

Molecular Properties

Compound Name1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate
PubChem CID20659229
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate
SMILESC=CC(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC
InChIInChI=1S/C12H20N2O6/c1-5-10(15)19-7-6-13-12(17)14-8(2)11(16)20-9(3)18-4/h5,8-9H,1,6-7H2,2-4H3,(H2,13,14,17)
InChIKeyOJQIKBRWBSDZPN-UHFFFAOYSA-N
XLogP-0.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate 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 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate?
The IUPAC name of 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate (CID 20659229) is 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate.
What is the SMILES notation for 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate?
The canonical SMILES for 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate is C=CC(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate?
The InChIKey is OJQIKBRWBSDZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-5-10(15)19-7-6-13-12(17)14-8(2)11(16)20-9(3)18-4/h5,8-9H,1,6-7H2,2-4H3,(H2,13,14,17).
What are the key properties of 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate?
1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate has a molecular weight of 288.30 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate is sourced from PubChem (CID 20659229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).