2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen

C10H18N2O3 — CID 164532227

IUPAC2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCNCOCCC#N.[H][H]
InChIInChI=1S/C10H16N2O3.H2/c1-9(2)10(13)15-7-5-12-8-14-6-3-4-11;/h12H,1,3,5-8H2,2H3;1H
InChIKeyGUYKCTDLKMEFDJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.83
Rot. Bonds8

About 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen

2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen (PubChem CID 164532227) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen.

Molecular Properties

Compound Name2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen
PubChem CID164532227
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCNCOCCC#N.[H][H]
InChIInChI=1S/C10H16N2O3.H2/c1-9(2)10(13)15-7-5-12-8-14-6-3-4-11;/h12H,1,3,5-8H2,2H3;1H
InChIKeyGUYKCTDLKMEFDJ-UHFFFAOYSA-N
XLogP0.83
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyanoethyl 2-methylprop-2-enoate;3-cyanopropanoic acid
CID 174752045
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-cyanoethyl 2-methylprop-2-enoate;2-cyanoethyl prop-2-enoate
CID 175522634
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate
CID 20811186
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
dodecyl 2-methylprop-2-enoate;3-[(Z)-hex-3-enoxy]propanenitrile
CID 135303995
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 163863615
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The IUPAC name of 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen (CID 164532227) is 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen.
What is the SMILES notation for 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The canonical SMILES for 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen is C=C(C)C(=O)OCCNCOCCC#N.[H][H].
What is the InChIKey of 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen?
The InChIKey is GUYKCTDLKMEFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.H2/c1-9(2)10(13)15-7-5-12-8-14-6-3-4-11;/h12H,1,3,5-8H2,2H3;1H.
What are the key properties of 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen?
2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen has a molecular weight of 214.26 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen is sourced from PubChem (CID 164532227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).