1-ethoxypropan-2-yl 2-(methylamino)acetate

C8H17NO3 — CID 103489136

IUPAC1-ethoxypropan-2-yl 2-(methylamino)acetate
SMILESCCOCC(C)OC(=O)CNC
InChIInChI=1S/C8H17NO3/c1-4-11-6-7(2)12-8(10)5-9-3/h7,9H,4-6H2,1-3H3
InChIKeyBJLIDSMFBUDIGU-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.17
Rot. Bonds6

About 1-ethoxypropan-2-yl 2-(methylamino)acetate

1-ethoxypropan-2-yl 2-(methylamino)acetate (PubChem CID 103489136) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2-(methylamino)acetate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2-(methylamino)acetate
PubChem CID103489136
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-ethoxypropan-2-yl 2-(methylamino)acetate
SMILESCCOCC(C)OC(=O)CNC
InChIInChI=1S/C8H17NO3/c1-4-11-6-7(2)12-8(10)5-9-3/h7,9H,4-6H2,1-3H3
InChIKeyBJLIDSMFBUDIGU-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethoxypropan-2-yl 2-(methylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
CID 103489051
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
CID 87696301
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxypropan-2-yl 5-aminopentanoate
CID 103489040
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
CID 103488924
1-ethoxypropan-2-yl 3-(aminomethyl)pentanoate
CID 103488952
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
2-(1-ethoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
CID 103489370
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2-(methylamino)acetate?
The IUPAC name of 1-ethoxypropan-2-yl 2-(methylamino)acetate (CID 103489136) is 1-ethoxypropan-2-yl 2-(methylamino)acetate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2-(methylamino)acetate?
The canonical SMILES for 1-ethoxypropan-2-yl 2-(methylamino)acetate is CCOCC(C)OC(=O)CNC.
What is the InChIKey of 1-ethoxypropan-2-yl 2-(methylamino)acetate?
The InChIKey is BJLIDSMFBUDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-6-7(2)12-8(10)5-9-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 2-(methylamino)acetate?
1-ethoxypropan-2-yl 2-(methylamino)acetate has a molecular weight of 175.23 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 2-(methylamino)acetate is sourced from PubChem (CID 103489136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).