2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine

C7H18N2O3 — CID 174615964

IUPAC2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine
SMILESCN(C)C.NCCOC(=O)CO
InChIInChI=1S/C4H9NO3.C3H9N/c5-1-2-8-4(7)3-6;1-4(2)3/h6H,1-3,5H2;1-3H3
InChIKeyDYOBKIMXBZILPJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP-1.34
Rot. Bonds3

About 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine

2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine (PubChem CID 174615964) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine
PubChem CID174615964
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine
SMILESCN(C)C.NCCOC(=O)CO
InChIInChI=1S/C4H9NO3.C3H9N/c5-1-2-8-4(7)3-6;1-4(2)3/h6H,1-3,5H2;1-3H3
InChIKeyDYOBKIMXBZILPJ-UHFFFAOYSA-N
XLogP-1.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-aminoethyl) butanedioate
CID 12073124
2-aminoethyl propanoate;zinc
CID 175266115
ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
CID 163645846
3-O-(2-aminoethyl) 1-O-methyl propanedioate
CID 57313021
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-chloroethyl 2-hydroxyacetate
CID 10034696
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
2-aminoethyl propanoate;cyclopropane
CID 174936306
2-aminoethyl 2-(methylamino)acetate
CID 174621897
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328
hexacosyl 2-hydroxyacetate
CID 156789960
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine?
The IUPAC name of 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine (CID 174615964) is 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine.
What is the SMILES notation for 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine?
The canonical SMILES for 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine is CN(C)C.NCCOC(=O)CO.
What is the InChIKey of 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine?
The InChIKey is DYOBKIMXBZILPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C3H9N/c5-1-2-8-4(7)3-6;1-4(2)3/h6H,1-3,5H2;1-3H3.
What are the key properties of 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine?
2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine has a molecular weight of 178.23 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine is sourced from PubChem (CID 174615964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).