methyl 3-(dibutylamino)-2-methylpropanoate

C13H27NO2 — CID 3018249

IUPACmethyl 3-(dibutylamino)-2-methylpropanoate
SMILESCCCCN(CCCC)CC(C)C(=O)OC
InChIInChI=1S/C13H27NO2/c1-5-7-9-14(10-8-6-2)11-12(3)13(15)16-4/h12H,5-11H2,1-4H3
InChIKeyJWMZBTCOXOGERJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds9

About methyl 3-(dibutylamino)-2-methylpropanoate

methyl 3-(dibutylamino)-2-methylpropanoate (PubChem CID 3018249) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is methyl 3-(dibutylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(dibutylamino)-2-methylpropanoate
PubChem CID3018249
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namemethyl 3-(dibutylamino)-2-methylpropanoate
SMILESCCCCN(CCCC)CC(C)C(=O)OC
InChIInChI=1S/C13H27NO2/c1-5-7-9-14(10-8-6-2)11-12(3)13(15)16-4/h12H,5-11H2,1-4H3
InChIKeyJWMZBTCOXOGERJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(pyrrolidin-1-yl)propanoate
CID 89167
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 N,N-dipropyl-beta-alaninate
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
Methyl 3-(azepan-1-yl)-2-methylpropanoate
CID 99011
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
(3-Methoxy-2-methyl-3-oxopropyl)-trimethylazanium
CID 4092

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dibutylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(dibutylamino)-2-methylpropanoate (CID 3018249) is methyl 3-(dibutylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(dibutylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(dibutylamino)-2-methylpropanoate is CCCCN(CCCC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-(dibutylamino)-2-methylpropanoate?
The InChIKey is JWMZBTCOXOGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-9-14(10-8-6-2)11-12(3)13(15)16-4/h12H,5-11H2,1-4H3.
What are the key properties of methyl 3-(dibutylamino)-2-methylpropanoate?
methyl 3-(dibutylamino)-2-methylpropanoate has a molecular weight of 229.36 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dibutylamino)-2-methylpropanoate is sourced from PubChem (CID 3018249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).