methyl 5-(dimethylamino)-5-oxopentanoate

C8H15NO3 — CID 11615262

IUPACmethyl 5-(dimethylamino)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C8H15NO3/c1-9(2)7(10)5-4-6-8(11)12-3/h4-6H2,1-3H3
InChIKeyLKYXYMWQTCGECE-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds4

About methyl 5-(dimethylamino)-5-oxopentanoate

methyl 5-(dimethylamino)-5-oxopentanoate (PubChem CID 11615262) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 5-(dimethylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)-5-oxopentanoate
PubChem CID11615262
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 5-(dimethylamino)-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(C)C
InChIInChI=1S/C8H15NO3/c1-9(2)7(10)5-4-6-8(11)12-3/h4-6H2,1-3H3
InChIKeyLKYXYMWQTCGECE-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-(dimethylamino)-5-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

dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-methylamino]acetate
CID 62026509
dimethyl hexanedioate;stannane
CID 173290076
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
CID 62012741
methyl 5-[methyl(1-nitroethyl)amino]-5-oxopentanoate
CID 129107187
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)-5-oxopentanoate?
The IUPAC name of methyl 5-(dimethylamino)-5-oxopentanoate (CID 11615262) is methyl 5-(dimethylamino)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(dimethylamino)-5-oxopentanoate?
The canonical SMILES for methyl 5-(dimethylamino)-5-oxopentanoate is COC(=O)CCCC(=O)N(C)C.
What is the InChIKey of methyl 5-(dimethylamino)-5-oxopentanoate?
The InChIKey is LKYXYMWQTCGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9(2)7(10)5-4-6-8(11)12-3/h4-6H2,1-3H3.
What are the key properties of methyl 5-(dimethylamino)-5-oxopentanoate?
methyl 5-(dimethylamino)-5-oxopentanoate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)-5-oxopentanoate is sourced from PubChem (CID 11615262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).