methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate

C10H20N2O3 — CID 61448932

IUPACmethyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
SMILESCCN(CC(=O)NC)C(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-12(7-9(13)11-3)8(2)6-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyZUDNFPJHSDGJOZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.01
Rot. Bonds6

About methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate

methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate (PubChem CID 61448932) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
PubChem CID61448932
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
SMILESCCN(CC(=O)NC)C(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-12(7-9(13)11-3)8(2)6-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyZUDNFPJHSDGJOZ-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate 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-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 3-(diethylamino)-4-hydroxybutanoate
CID 105443683
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
methyl 3,4-dimethylpentanoate
CID 554058
3-[ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoic acid
CID 62825847
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
N-ethyl-2-[ethyl-(4-hydrazinyl-4-oxobutan-2-yl)amino]acetamide
CID 63577879
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate?
The IUPAC name of methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate (CID 61448932) is methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate is CCN(CC(=O)NC)C(C)CC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate?
The InChIKey is ZUDNFPJHSDGJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-12(7-9(13)11-3)8(2)6-10(14)15-4/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate?
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate has a molecular weight of 216.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 61448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).