propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate

C10H19NO4 — CID 118199886

IUPACpropyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
SMILESCCCOC(=O)CCN(C)CC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-7-15-9(12)5-6-11(2)8-10(13)14-3/h4-8H2,1-3H3
InChIKeyBTVJDZFJOUETPT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds7

About propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate

propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate (PubChem CID 118199886) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate.

Molecular Properties

Compound Namepropyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
PubChem CID118199886
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
SMILESCCCOC(=O)CCN(C)CC(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-7-15-9(12)5-6-11(2)8-10(13)14-3/h4-8H2,1-3H3
InChIKeyBTVJDZFJOUETPT-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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 propyl 3-[(2-methoxy-2-oxoethyl)-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

Related Compounds

methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
ethane;methyl 8-[methyl-(8-oxo-8-propoxyoctyl)amino]octanoate
CID 164554494
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
methyl 3-[2-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]ethyl-(3-dodecoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[bis(3-oxo-3-tridecoxypropyl)amino]ethyl-methylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 159593624
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
butyl 2-[2-methoxyethyl(methyl)amino]acetate
CID 61067992
methane;propyl butanoate
CID 157187060
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The IUPAC name of propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate (CID 118199886) is propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate.
What is the SMILES notation for propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The canonical SMILES for propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate is CCCOC(=O)CCN(C)CC(=O)OC.
What is the InChIKey of propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The InChIKey is BTVJDZFJOUETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7-15-9(12)5-6-11(2)8-10(13)14-3/h4-8H2,1-3H3.
What are the key properties of propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate is sourced from PubChem (CID 118199886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).