methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate

C10H19NO4 — CID 62026454

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
SMILESCOC(=O)CN(C(C)C)C(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-7(2)11(6-9(12)14-4)8(3)10(13)15-5/h7-8H,6H2,1-5H3
InChIKeyMBINEAODUUWEBB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate

methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate (PubChem CID 62026454) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
PubChem CID62026454
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
SMILESCOC(=O)CN(C(C)C)C(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-7(2)11(6-9(12)14-4)8(3)10(13)15-5/h7-8H,6H2,1-5H3
InChIKeyMBINEAODUUWEBB-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate 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

methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62025892
methyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026267
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
CID 62025889
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
methyl 2-[3-(ethylamino)butanoyl-propan-2-ylamino]acetate
CID 62838511
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62026624
methyl 2-[amino(2-methylpropyl)amino]acetate;hydrochloride
CID 138059580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate (CID 62026454) is methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate is COC(=O)CN(C(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate?
The InChIKey is MBINEAODUUWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)11(6-9(12)14-4)8(3)10(13)15-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate?
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate is sourced from PubChem (CID 62026454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).