ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate

C12H22N2O5 — CID 14885015

IUPACethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N(C)CC1CN(C(=O)OCC)CCO1
InChIInChI=1S/C12H22N2O5/c1-4-17-11(15)13(3)8-10-9-14(6-7-19-10)12(16)18-5-2/h10H,4-9H2,1-3H3
InChIKeyBSPKHXKXVBQBOL-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds4

About ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate

ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 14885015) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate
PubChem CID14885015
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N(C)CC1CN(C(=O)OCC)CCO1
InChIInChI=1S/C12H22N2O5/c1-4-17-11(15)13(3)8-10-9-14(6-7-19-10)12(16)18-5-2/h10H,4-9H2,1-3H3
InChIKeyBSPKHXKXVBQBOL-UHFFFAOYSA-N
XLogP0.93
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate 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

Tert-butyl Morpholine-4-carboxylate
CID 11435389
tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
tert-butyl N-methyl-N-[(morpholin-2-yl)methyl]carbamate
CID 19691535
tert-Butyl 2-cyanomorpholine-4-carboxylate
CID 70700471
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818
Tert-butyl 6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742819
tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742820
Tert-butyl 2-(aminomethyl)-6-methylmorpholine-4-carboxylate
CID 102938378
Propan-2-yl morpholine-4-carboxylate
CID 238165
Tert-butyl 2-[(methylamino)methyl]morpholine-4-carboxylate
CID 84139008
Tert-butyl 2-(aminomethyl)-2-methylmorpholine-4-carboxylate
CID 132327974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate (CID 14885015) is ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate is CCOC(=O)N(C)CC1CN(C(=O)OCC)CCO1.
What is the InChIKey of ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is BSPKHXKXVBQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-17-11(15)13(3)8-10-9-14(6-7-19-10)12(16)18-5-2/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate?
ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[ethoxycarbonyl(methyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 14885015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).