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

C10H18N2O5 — CID 54893509

IUPACethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC1COCCO1
InChIInChI=1S/C10H18N2O5/c1-2-16-9(13)6-12-10(14)11-5-8-7-15-3-4-17-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyFJWNXAYFCXHSOX-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.74
Rot. Bonds5

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

ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate (PubChem CID 54893509) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate
PubChem CID54893509
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Nameethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC1COCCO1
InChIInChI=1S/C10H18N2O5/c1-2-16-9(13)6-12-10(14)11-5-8-7-15-3-4-17-8/h8H,2-7H2,1H3,(H2,11,12,14)
InChIKeyFJWNXAYFCXHSOX-UHFFFAOYSA-N
XLogP-0.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate (CID 54893509) is ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCC1COCCO1.
What is the InChIKey of ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate?
The InChIKey is FJWNXAYFCXHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-16-9(13)6-12-10(14)11-5-8-7-15-3-4-17-8/h8H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate?
ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate has a molecular weight of 246.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxan-2-ylmethylcarbamoylamino)acetate is sourced from PubChem (CID 54893509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).