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

C12H21NO4 — CID 62027799

IUPACethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCOCO1)C1CC1
InChIInChI=1S/C12H21NO4/c1-2-16-12(14)8-13(10-3-4-10)7-11-5-6-15-9-17-11/h10-11H,2-9H2,1H3
InChIKeyISSXYDMDSNJROC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds6

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

ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate (PubChem CID 62027799) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
PubChem CID62027799
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCOCO1)C1CC1
InChIInChI=1S/C12H21NO4/c1-2-16-12(14)8-13(10-3-4-10)7-11-5-6-15-9-17-11/h10-11H,2-9H2,1H3
InChIKeyISSXYDMDSNJROC-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
CID 55208525
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116059
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
CID 60806783
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
CID 62027423
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
ethyl 2-[ethyl(oxan-3-yl)amino]acetate
CID 103892716
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate
CID 81089815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate (CID 62027799) is ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate is CCOC(=O)CN(CC1CCOCO1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate?
The InChIKey is ISSXYDMDSNJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-16-12(14)8-13(10-3-4-10)7-11-5-6-15-9-17-11/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate is sourced from PubChem (CID 62027799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).