methyl 4-(diethylamino)-2-methyl-4-oxobutanoate

C10H19NO3 — CID 66561990

IUPACmethyl 4-(diethylamino)-2-methyl-4-oxobutanoate
SMILESCCN(CC)C(=O)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-8(3)10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyBMSKNRXGJVEAAE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds5

About methyl 4-(diethylamino)-2-methyl-4-oxobutanoate

methyl 4-(diethylamino)-2-methyl-4-oxobutanoate (PubChem CID 66561990) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(diethylamino)-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-2-methyl-4-oxobutanoate
PubChem CID66561990
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(diethylamino)-2-methyl-4-oxobutanoate
SMILESCCN(CC)C(=O)CC(C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-8(3)10(13)14-4/h8H,5-7H2,1-4H3
InChIKeyBMSKNRXGJVEAAE-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylamino)-3-methoxycarbonyl-5-oxopentanoic acid
CID 118378502
N',N'-diethyl-2-(methylamino)butanediamide
CID 12695982
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
(3R)-N,N-diethyl-3-hydroxybutanamide
CID 11542825
2-(cyclopropylmethylamino)-N',N'-diethylbutanediamide
CID 66430872
methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
4-(diethylamino)-2-ethyl-4-oxobutanoic acid
CID 112515205
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937

Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-2-methyl-4-oxobutanoate?
The IUPAC name of methyl 4-(diethylamino)-2-methyl-4-oxobutanoate (CID 66561990) is methyl 4-(diethylamino)-2-methyl-4-oxobutanoate.
What is the SMILES notation for methyl 4-(diethylamino)-2-methyl-4-oxobutanoate?
The canonical SMILES for methyl 4-(diethylamino)-2-methyl-4-oxobutanoate is CCN(CC)C(=O)CC(C)C(=O)OC.
What is the InChIKey of methyl 4-(diethylamino)-2-methyl-4-oxobutanoate?
The InChIKey is BMSKNRXGJVEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(6-2)9(12)7-8(3)10(13)14-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-(diethylamino)-2-methyl-4-oxobutanoate?
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-2-methyl-4-oxobutanoate is sourced from PubChem (CID 66561990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).