methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate

C13H24N2O4 — CID 114106525

IUPACmethyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
SMILESCCC1OCCC1CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-4-12-10(5-6-19-12)7-14-8-11(13(17)18-3)15-9(2)16/h10-12,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyJWGRIMWKOIFNIZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.07
Rot. Bonds7

About methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate

methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate (PubChem CID 114106525) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
PubChem CID114106525
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
SMILESCCC1OCCC1CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-4-12-10(5-6-19-12)7-14-8-11(13(17)18-3)15-9(2)16/h10-12,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyJWGRIMWKOIFNIZ-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate (CID 114106525) is methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate is CCC1OCCC1CNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate?
The InChIKey is JWGRIMWKOIFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-12-10(5-6-19-12)7-14-8-11(13(17)18-3)15-9(2)16/h10-12,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate?
methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate is sourced from PubChem (CID 114106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).