ethyl 2-methyl-2-(propylamino)pentanoate

C11H23NO2 — CID 60796647

IUPACethyl 2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(4,12-9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3
InChIKeyGWFWPSJTPYPIOL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About ethyl 2-methyl-2-(propylamino)pentanoate

ethyl 2-methyl-2-(propylamino)pentanoate (PubChem CID 60796647) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(propylamino)pentanoate
PubChem CID60796647
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(4,12-9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3
InChIKeyGWFWPSJTPYPIOL-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propylamino)pentanoate
CID 64710603
ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
CID 102607567
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoate
CID 66371370
ethyl 2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoate
CID 82962855
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
ethyl 2-methyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanoate
CID 63658515
ethyl 3-methyl-3-(propylamino)butanoate
CID 65236098

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(propylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(propylamino)pentanoate (CID 60796647) is ethyl 2-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(propylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(propylamino)pentanoate is CCCNC(C)(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(propylamino)pentanoate?
The InChIKey is GWFWPSJTPYPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-11(4,12-9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(propylamino)pentanoate?
ethyl 2-methyl-2-(propylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 60796647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).