methyl 3-(diethylamino)-2-methylpropanoate

C9H19NO2 — CID 3015533

IUPACmethyl 3-(diethylamino)-2-methylpropanoate
SMILESCCN(CC)CC(C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)7-8(3)9(11)12-4/h8H,5-7H2,1-4H3
InChIKeyLIERAMMEIVRHCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About methyl 3-(diethylamino)-2-methylpropanoate

methyl 3-(diethylamino)-2-methylpropanoate (PubChem CID 3015533) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 3-(diethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(diethylamino)-2-methylpropanoate
PubChem CID3015533
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 3-(diethylamino)-2-methylpropanoate
SMILESCCN(CC)CC(C)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-5-10(6-2)7-8(3)9(11)12-4/h8H,5-7H2,1-4H3
InChIKeyLIERAMMEIVRHCW-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, N,N-dimethyl-, methyl ester
CID 199226
Ethyl 3-(diethylamino)propionate
CID 79649
3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
Methyl 3-(diethylamino)propanoate
CID 219165
Methyl 3-(dimethylamino)-2-methylpropionate
CID 112023
Ethyl 3-(dipropylamino)propanoate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
Methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate hydrochloride
CID 2909454
Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
CID 66925
(3-Methoxy-2-methyl-3-oxopropyl)-trimethylazanium
CID 4092
(3-Ethoxy-3-oxopropyl)-trimethylazanium chloride
CID 49862510
Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
CID 107233

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(diethylamino)-2-methylpropanoate (CID 3015533) is methyl 3-(diethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(diethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(diethylamino)-2-methylpropanoate is CCN(CC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(diethylamino)-2-methylpropanoate?
The InChIKey is LIERAMMEIVRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(6-2)7-8(3)9(11)12-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-(diethylamino)-2-methylpropanoate?
methyl 3-(diethylamino)-2-methylpropanoate has a molecular weight of 173.26 g/mol, XLogP of 1.14, 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-methylpropanoate is sourced from PubChem (CID 3015533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).