methyl 4-(diethylamino)-2-methylbutanoate

C10H21NO2 — CID 19865975

IUPACmethyl 4-(diethylamino)-2-methylbutanoate
SMILESCCN(CC)CCC(C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyYXQAPYWZLOSLHZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About methyl 4-(diethylamino)-2-methylbutanoate

methyl 4-(diethylamino)-2-methylbutanoate (PubChem CID 19865975) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-methylbutanoate
PubChem CID19865975
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(diethylamino)-2-methylbutanoate
SMILESCCN(CC)CCC(C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyYXQAPYWZLOSLHZ-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carpronium Chloride
CID 25804
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Carpronium
CID 2582
Ethyl 4-(dimethylamino)butyrate
CID 30904
Butanoic acid, 4-(dimethylamino)-, methyl ester
CID 210997
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808
Methyl 1-pyrrolidinebutanoate
CID 30905
Butyric acid, 4-diethylamino-, ethyl ester
CID 45407
gamma-Butyrobetaine ethyl ester
CID 30902
4-[Methoxymethyl(dimethyl)azaniumyl]butanoate
CID 90655237
4-Methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
CID 29406
4-Ethoxy-N,N-diethyl-N-methyl-4-oxobutan-1-aminium iodide
CID 216723

Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-methylbutanoate?
The IUPAC name of methyl 4-(diethylamino)-2-methylbutanoate (CID 19865975) is methyl 4-(diethylamino)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-methylbutanoate?
The canonical SMILES for methyl 4-(diethylamino)-2-methylbutanoate is CCN(CC)CCC(C)C(=O)OC.
What is the InChIKey of methyl 4-(diethylamino)-2-methylbutanoate?
The InChIKey is YXQAPYWZLOSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11(6-2)8-7-9(3)10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 4-(diethylamino)-2-methylbutanoate?
methyl 4-(diethylamino)-2-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-methylbutanoate is sourced from PubChem (CID 19865975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).