methyl 5-(diethylamino)-5-oxopentanoate

C10H19NO3 — CID 12618393

IUPACmethyl 5-(diethylamino)-5-oxopentanoate
SMILESCCN(CC)C(=O)CCCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-11(5-2)9(12)7-6-8-10(13)14-3/h4-8H2,1-3H3
InChIKeyPRFNMZJBASGWBD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.20
Rot. Bonds6

About methyl 5-(diethylamino)-5-oxopentanoate

methyl 5-(diethylamino)-5-oxopentanoate (PubChem CID 12618393) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 5-(diethylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(diethylamino)-5-oxopentanoate
PubChem CID12618393
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 5-(diethylamino)-5-oxopentanoate
SMILESCCN(CC)C(=O)CCCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-11(5-2)9(12)7-6-8-10(13)14-3/h4-8H2,1-3H3
InChIKeyPRFNMZJBASGWBD-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
methyl 4-[3-(diethylamino)-3-oxopropyl]sulfanyl-4-oxobutanoate
CID 155744075
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
methyl 3-[ethyl(hept-6-ynoyl)amino]propanoate
CID 103908144
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl tricosanedioate
CID 12632762
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
propyl 6-(diethylamino)-6-oxohexanoate
CID 123558597
5-bromo-N,N-diethylpentanamide
CID 11459002

Frequently Asked Questions

What is the IUPAC name of methyl 5-(diethylamino)-5-oxopentanoate?
The IUPAC name of methyl 5-(diethylamino)-5-oxopentanoate (CID 12618393) is methyl 5-(diethylamino)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(diethylamino)-5-oxopentanoate?
The canonical SMILES for methyl 5-(diethylamino)-5-oxopentanoate is CCN(CC)C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-(diethylamino)-5-oxopentanoate?
The InChIKey is PRFNMZJBASGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-11(5-2)9(12)7-6-8-10(13)14-3/h4-8H2,1-3H3.
What are the key properties of methyl 5-(diethylamino)-5-oxopentanoate?
methyl 5-(diethylamino)-5-oxopentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(diethylamino)-5-oxopentanoate is sourced from PubChem (CID 12618393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).