ethyl 2-[ethyl(propan-2-yl)amino]butanoate

C11H23NO2 — CID 64663080

IUPACethyl 2-[ethyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-10(11(13)14-8-3)12(7-2)9(4)5/h9-10H,6-8H2,1-5H3
InChIKeyYVGDNWXDBGOGDX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-[ethyl(propan-2-yl)amino]butanoate

ethyl 2-[ethyl(propan-2-yl)amino]butanoate (PubChem CID 64663080) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-[ethyl(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[ethyl(propan-2-yl)amino]butanoate
PubChem CID64663080
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-[ethyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-10(11(13)14-8-3)12(7-2)9(4)5/h9-10H,6-8H2,1-5H3
InChIKeyYVGDNWXDBGOGDX-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]butanoate
CID 103189712
ethyl 2-[2-cyanoethyl(propan-2-yl)amino]butanoate
CID 64660525
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
5-ethoxy-3-hydroxy-5-oxopentanoic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 174478924
ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(propan-2-yl)amino]butanoate?
The IUPAC name of ethyl 2-[ethyl(propan-2-yl)amino]butanoate (CID 64663080) is ethyl 2-[ethyl(propan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 2-[ethyl(propan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 2-[ethyl(propan-2-yl)amino]butanoate is CCOC(=O)C(CC)N(CC)C(C)C.
What is the InChIKey of ethyl 2-[ethyl(propan-2-yl)amino]butanoate?
The InChIKey is YVGDNWXDBGOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-10(11(13)14-8-3)12(7-2)9(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[ethyl(propan-2-yl)amino]butanoate?
ethyl 2-[ethyl(propan-2-yl)amino]butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(propan-2-yl)amino]butanoate is sourced from PubChem (CID 64663080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).