2-(dimethylamino)ethyl 2-iminopropanoate

C7H14N2O2 — CID 130206317

IUPAC2-(dimethylamino)ethyl 2-iminopropanoate
SMILES[H]/N=C(\C)C(=O)OCCN(C)C
InChIInChI=1S/C7H14N2O2/c1-6(8)7(10)11-5-4-9(2)3/h8H,4-5H2,1-3H3/b8-6+
InChIKeyWGXIMQRVEHOVJH-SOFGYWHQSA-N
MW158.20 g/mol
LogP0.13
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-iminopropanoate

2-(dimethylamino)ethyl 2-iminopropanoate (PubChem CID 130206317) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-iminopropanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-iminopropanoate
PubChem CID130206317
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(dimethylamino)ethyl 2-iminopropanoate
SMILES[H]/N=C(\C)C(=O)OCCN(C)C
InChIInChI=1S/C7H14N2O2/c1-6(8)7(10)11-5-4-9(2)3/h8H,4-5H2,1-3H3/b8-6+
InChIKeyWGXIMQRVEHOVJH-SOFGYWHQSA-N
XLogP0.13
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl 2-iminopropanoate 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-(dimethylamino)ethyl 2-iminopropanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-iminopropanoate (CID 130206317) is 2-(dimethylamino)ethyl 2-iminopropanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-iminopropanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-iminopropanoate is [H]/N=C(\C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-iminopropanoate?
The InChIKey is WGXIMQRVEHOVJH-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(8)7(10)11-5-4-9(2)3/h8H,4-5H2,1-3H3/b8-6+.
What are the key properties of 2-(dimethylamino)ethyl 2-iminopropanoate?
2-(dimethylamino)ethyl 2-iminopropanoate has a molecular weight of 158.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-iminopropanoate is sourced from PubChem (CID 130206317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).