ethyl 2-[methyl(propylcarbamoyl)amino]acetate

C9H18N2O3 — CID 10241951

IUPACethyl 2-[methyl(propylcarbamoyl)amino]acetate
SMILESCCCNC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4-7H2,1-3H3,(H,10,13)
InChIKeyOSKDDOHEAURJKD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-[methyl(propylcarbamoyl)amino]acetate

ethyl 2-[methyl(propylcarbamoyl)amino]acetate (PubChem CID 10241951) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[methyl(propylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(propylcarbamoyl)amino]acetate
PubChem CID10241951
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[methyl(propylcarbamoyl)amino]acetate
SMILESCCCNC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C9H18N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4-7H2,1-3H3,(H,10,13)
InChIKeyOSKDDOHEAURJKD-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[methyl(propylcarbamoyl)amino]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

4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541797
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(propylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(propylcarbamoyl)amino]acetate (CID 10241951) is ethyl 2-[methyl(propylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(propylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(propylcarbamoyl)amino]acetate is CCCNC(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl(propylcarbamoyl)amino]acetate?
The InChIKey is OSKDDOHEAURJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-6-10-9(13)11(3)7-8(12)14-5-2/h4-7H2,1-3H3,(H,10,13).
What are the key properties of ethyl 2-[methyl(propylcarbamoyl)amino]acetate?
ethyl 2-[methyl(propylcarbamoyl)amino]acetate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(propylcarbamoyl)amino]acetate is sourced from PubChem (CID 10241951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).