methyl (2S)-3-(dipropylamino)-2-methylpropanoate

C11H23NO2 — CID 92938899

IUPACmethyl (2S)-3-(dipropylamino)-2-methylpropanoate
SMILESCCCN(CCC)C[C@H](C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVGUXUBAHVQOINX-JTQLQIEISA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds7

About methyl (2S)-3-(dipropylamino)-2-methylpropanoate

methyl (2S)-3-(dipropylamino)-2-methylpropanoate (PubChem CID 92938899) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl (2S)-3-(dipropylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(dipropylamino)-2-methylpropanoate
PubChem CID92938899
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl (2S)-3-(dipropylamino)-2-methylpropanoate
SMILESCCCN(CCC)C[C@H](C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyVGUXUBAHVQOINX-JTQLQIEISA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(dipropylamino)-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-(dipropylamino)-2-methylpropanoate (CID 92938899) is methyl (2S)-3-(dipropylamino)-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-(dipropylamino)-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-(dipropylamino)-2-methylpropanoate is CCCN(CCC)C[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-3-(dipropylamino)-2-methylpropanoate?
The InChIKey is VGUXUBAHVQOINX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of methyl (2S)-3-(dipropylamino)-2-methylpropanoate?
methyl (2S)-3-(dipropylamino)-2-methylpropanoate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(dipropylamino)-2-methylpropanoate is sourced from PubChem (CID 92938899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).