methyl 3-(diethylamino)-2,2-dimethylpropanoate

C10H21NO2 — CID 79623821

IUPACmethyl 3-(diethylamino)-2,2-dimethylpropanoate
SMILESCCN(CC)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-6-11(7-2)8-10(3,4)9(12)13-5/h6-8H2,1-5H3
InChIKeyKVWPOWUJXYGBHD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds5

About methyl 3-(diethylamino)-2,2-dimethylpropanoate

methyl 3-(diethylamino)-2,2-dimethylpropanoate (PubChem CID 79623821) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-(diethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-2,2-dimethylpropanoate
PubChem CID79623821
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-(diethylamino)-2,2-dimethylpropanoate
SMILESCCN(CC)CC(C)(C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-6-11(7-2)8-10(3,4)9(12)13-5/h6-8H2,1-5H3
InChIKeyKVWPOWUJXYGBHD-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

methyl 3-[cyanomethyl(ethyl)amino]-2,2-dimethylpropanoate
CID 79623688
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[(4-aminophenyl)methyl-ethylamino]-2,2-dimethylpropanoate
CID 79624311
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
methane;methyl 2,2-dimethylbutanoate;molecular iodine
CID 158792911
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
CID 79621448

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(diethylamino)-2,2-dimethylpropanoate (CID 79623821) is methyl 3-(diethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(diethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(diethylamino)-2,2-dimethylpropanoate is CCN(CC)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(diethylamino)-2,2-dimethylpropanoate?
The InChIKey is KVWPOWUJXYGBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-11(7-2)8-10(3,4)9(12)13-5/h6-8H2,1-5H3.
What are the key properties of methyl 3-(diethylamino)-2,2-dimethylpropanoate?
methyl 3-(diethylamino)-2,2-dimethylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 79623821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).