ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate

C9H17NO4 — CID 61025111

IUPACethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1COCCO1
InChIInChI=1S/C9H17NO4/c1-2-13-9(11)6-10-5-8-7-12-3-4-14-8/h8,10H,2-7H2,1H3
InChIKeyQRIQUTXAOQIOOX-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.45
Rot. Bonds5

About ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate

ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate (PubChem CID 61025111) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
PubChem CID61025111
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 2-(1,4-dioxan-2-ylmethylamino)acetate
SMILESCCOC(=O)CNCC1COCCO1
InChIInChI=1S/C9H17NO4/c1-2-13-9(11)6-10-5-8-7-12-3-4-14-8/h8,10H,2-7H2,1H3
InChIKeyQRIQUTXAOQIOOX-UHFFFAOYSA-N
XLogP-0.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)acetamide
CID 60976759
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
3-(1,4-dioxan-2-ylmethylamino)-N,N-dimethylpropanamide
CID 61023691
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
CID 103242220
ethyl N-[4-[[(2S)-1,4-dioxan-2-yl]methylcarbamoylamino]phenyl]carbamate
CID 94653303
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate (CID 61025111) is ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate is CCOC(=O)CNCC1COCCO1.
What is the InChIKey of ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate?
The InChIKey is QRIQUTXAOQIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-13-9(11)6-10-5-8-7-12-3-4-14-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate?
ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate has a molecular weight of 203.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxan-2-ylmethylamino)acetate is sourced from PubChem (CID 61025111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).