ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate

C10H19NO3 — CID 103484137

IUPACethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(C)CC
InChIInChI=1S/C10H19NO3/c1-4-11(3)8-9(12)6-7-10(13)14-5-2/h4-8H2,1-3H3
InChIKeyHXQVXOBWLCGXLT-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.85
Rot. Bonds7

About ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate

ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate (PubChem CID 103484137) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
PubChem CID103484137
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(C)CC
InChIInChI=1S/C10H19NO3/c1-4-11(3)8-9(12)6-7-10(13)14-5-2/h4-8H2,1-3H3
InChIKeyHXQVXOBWLCGXLT-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate 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

ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
CID 103484141
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
CID 103484403
ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
CID 103484374
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
ethyl 5-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxopentanoate
CID 103485688
ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate (CID 103484137) is ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate is CCOC(=O)CCC(=O)CN(C)CC.
What is the InChIKey of ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate?
The InChIKey is HXQVXOBWLCGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-11(3)8-9(12)6-7-10(13)14-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate?
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate has a molecular weight of 201.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate is sourced from PubChem (CID 103484137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).