2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

C8H13NO5 — CID 89434638

IUPAC2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCC1(C(=O)OCCN)COC(=O)OC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)12-3-2-9)4-13-7(11)14-5-8/h2-5,9H2,1H3
InChIKeyMKYHVRJHMXCHPG-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.34
Rot. Bonds3

About 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (PubChem CID 89434638) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
PubChem CID89434638
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
SMILESCC1(C(=O)OCCN)COC(=O)OC1
InChIInChI=1S/C8H13NO5/c1-8(6(10)12-3-2-9)4-13-7(11)14-5-8/h2-5,9H2,1H3
InChIKeyMKYHVRJHMXCHPG-UHFFFAOYSA-N
XLogP-0.34
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 90070114
3-Aminopropyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 121486605
methoxymethyl 3-[(2S)-2-aminopropanoyl]oxy-2,2-dimethylpropanoate
CID 129022149
2-(Hydroxyamino)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate;2-methylpropan-2-ol;molecular hydrogen
CID 144956531
2-Methylpropan-2-yl 3,3,3-tris(2-aminoethoxy)propanoate
CID 166562595
Methyl 2-(aminomethyl)-1,3-dioxane-5-carboxylate
CID 84075145
Methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate
CID 106939732

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The IUPAC name of 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate (CID 89434638) is 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate.
What is the SMILES notation for 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The canonical SMILES for 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is CC1(C(=O)OCCN)COC(=O)OC1.
What is the InChIKey of 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
The InChIKey is MKYHVRJHMXCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-8(6(10)12-3-2-9)4-13-7(11)14-5-8/h2-5,9H2,1H3.
What are the key properties of 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate?
2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate has a molecular weight of 203.19 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 89434638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).