ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate

C10H19NO4 — CID 55208525

IUPACethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CC1CCOCO1
InChIInChI=1S/C10H19NO4/c1-3-14-10(12)7-11(2)6-9-4-5-13-8-15-9/h9H,3-8H2,1-2H3
InChIKeyZSZMDKGSTBTOFM-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds5

About ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate

ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate (PubChem CID 55208525) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
PubChem CID55208525
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CC1CCOCO1
InChIInChI=1S/C10H19NO4/c1-3-14-10(12)7-11(2)6-9-4-5-13-8-15-9/h9H,3-8H2,1-2H3
InChIKeyZSZMDKGSTBTOFM-UHFFFAOYSA-N
XLogP0.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate 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

ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
CID 62027799
ethyl 4-[methyl(oxolan-2-ylmethyl)amino]-3-oxobutanoate
CID 63897751
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62015764
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
CID 66362775
N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
CID 130677377
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
CID 66362773
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 62047555
ethyl 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-oxobutanoate
CID 63897372
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate (CID 55208525) is ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate is CCOC(=O)CN(C)CC1CCOCO1.
What is the InChIKey of ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate?
The InChIKey is ZSZMDKGSTBTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-10(12)7-11(2)6-9-4-5-13-8-15-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate?
ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate is sourced from PubChem (CID 55208525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).