2-aminoethyl methyl carbonate

C4H9NO3 — CID 55288697

IUPAC2-aminoethyl methyl carbonate
SMILESCOC(=O)OCCN
InChIInChI=1S/C4H9NO3/c1-7-4(6)8-3-2-5/h2-3,5H2,1H3
InChIKeyNPBARHFCUXXUMX-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.27
Rot. Bonds2

About 2-aminoethyl methyl carbonate

2-aminoethyl methyl carbonate (PubChem CID 55288697) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-aminoethyl methyl carbonate.

Molecular Properties

Compound Name2-aminoethyl methyl carbonate
PubChem CID55288697
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-aminoethyl methyl carbonate
SMILESCOC(=O)OCCN
InChIInChI=1S/C4H9NO3/c1-7-4(6)8-3-2-5/h2-3,5H2,1H3
InChIKeyNPBARHFCUXXUMX-UHFFFAOYSA-N
XLogP-0.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Diethoxyethylamine
CID 69524
Aminoacetaldehyde dimethyl acetal
CID 89728
2-(Methoxymethoxy)ethanamine
CID 14654469
2-(1-Ethoxyethoxy)ethanamine
CID 87466365
2-Methoxy-ethyl-ammonium formate
CID 134716574
2,2-Dimethoxyethylazanium
CID 6994454
2,2'-(Methylenebis(oxy))diethanamine
CID 19021912
O-(2-methoxyethoxymethyl)ethanolamine
CID 19350391
1-(2-Aminoethoxy)ethyl acetate
CID 21506516
Ethyl 2-(methylamino)ethyl carbonate
CID 21569592
2-Methoxy-2-ethoxyethylamine
CID 22766278
Ethyl 2-(methylamino)ethyl carbonate hydrochloride
CID 23071203

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl methyl carbonate?
The IUPAC name of 2-aminoethyl methyl carbonate (CID 55288697) is 2-aminoethyl methyl carbonate.
What is the SMILES notation for 2-aminoethyl methyl carbonate?
The canonical SMILES for 2-aminoethyl methyl carbonate is COC(=O)OCCN.
What is the InChIKey of 2-aminoethyl methyl carbonate?
The InChIKey is NPBARHFCUXXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-7-4(6)8-3-2-5/h2-3,5H2,1H3.
What are the key properties of 2-aminoethyl methyl carbonate?
2-aminoethyl methyl carbonate has a molecular weight of 119.12 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl methyl carbonate is sourced from PubChem (CID 55288697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).