ethyl 3-(cyclopropylamino)hexanoate

C11H21NO2 — CID 154585691

IUPACethyl 3-(cyclopropylamino)hexanoate
SMILESCCCC(CC(=O)OCC)NC1CC1
InChIInChI=1S/C11H21NO2/c1-3-5-10(12-9-6-7-9)8-11(13)14-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYJRTWAPOOKSLKP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds7

About ethyl 3-(cyclopropylamino)hexanoate

ethyl 3-(cyclopropylamino)hexanoate (PubChem CID 154585691) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)hexanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)hexanoate
PubChem CID154585691
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 3-(cyclopropylamino)hexanoate
SMILESCCCC(CC(=O)OCC)NC1CC1
InChIInChI=1S/C11H21NO2/c1-3-5-10(12-9-6-7-9)8-11(13)14-4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYJRTWAPOOKSLKP-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(butylamino)-4,4,5,5,6,6,6-heptafluorohexanoate
CID 121003731
Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 50988249
Hexanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
CID 75530735
Ethyl piperidin-2-ylacetate
CID 436981
Ethyl 2-(pyrrolidin-2-yl)acetate
CID 336545
ethyl (3R)-3-aminohexanoate hydrochloride
CID 165951200
Ethyl 3-aminohexanoate
CID 12269253
Ethyl 3-acetamidohexanoate
CID 22460015
Ethyl 3-(cyclopropylamino)butanoate
CID 61717813
ethyl (3R)-3-acetamidohexanoate
CID 101002529
ethyl (3R)-3-aminohexanoate
CID 11744909
Ethyl 6-(methylamino)hexanoate
CID 15881001

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)hexanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)hexanoate (CID 154585691) is ethyl 3-(cyclopropylamino)hexanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)hexanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)hexanoate is CCCC(CC(=O)OCC)NC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylamino)hexanoate?
The InChIKey is YJRTWAPOOKSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-10(12-9-6-7-9)8-11(13)14-4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(cyclopropylamino)hexanoate?
ethyl 3-(cyclopropylamino)hexanoate has a molecular weight of 199.29 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)hexanoate is sourced from PubChem (CID 154585691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).