ethyl 3-methyl-3-(propylamino)pentanoate

C11H23NO2 — CID 65235785

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

About ethyl 3-methyl-3-(propylamino)pentanoate

ethyl 3-methyl-3-(propylamino)pentanoate (PubChem CID 65235785) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 3-methyl-3-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-(propylamino)pentanoate
PubChem CID65235785
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 3-methyl-3-(propylamino)pentanoate
SMILESCCCNC(C)(CC)CC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-8-12-11(4,6-2)9-10(13)14-7-3/h12H,5-9H2,1-4H3
InChIKeyVJRAYUSLTVIDAR-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-(propylamino)pentanoate?
The IUPAC name of ethyl 3-methyl-3-(propylamino)pentanoate (CID 65235785) is ethyl 3-methyl-3-(propylamino)pentanoate.
What is the SMILES notation for ethyl 3-methyl-3-(propylamino)pentanoate?
The canonical SMILES for ethyl 3-methyl-3-(propylamino)pentanoate is CCCNC(C)(CC)CC(=O)OCC.
What is the InChIKey of ethyl 3-methyl-3-(propylamino)pentanoate?
The InChIKey is VJRAYUSLTVIDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-12-11(4,6-2)9-10(13)14-7-3/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 3-methyl-3-(propylamino)pentanoate?
ethyl 3-methyl-3-(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 3-methyl-3-(propylamino)pentanoate is sourced from PubChem (CID 65235785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).