ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate

C16H30N2O2 — CID 63908666

IUPACethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CN(CC)C1CCCCC1)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-18(14-8-6-5-7-9-14)12-16(17,13-10-11-13)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3
InChIKeyOFTHXOQUVWIBNI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds7

About ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate

ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate (PubChem CID 63908666) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
PubChem CID63908666
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CN(CC)C1CCCCC1)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-18(14-8-6-5-7-9-14)12-16(17,13-10-11-13)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3
InChIKeyOFTHXOQUVWIBNI-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
ethyl 2-amino-2-cyclopropyl-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63967341
ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
CID 63920634
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propanoate
CID 63918207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate?
The IUPAC name of ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate (CID 63908666) is ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate?
The canonical SMILES for ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate is CCOC(=O)C(N)(CN(CC)C1CCCCC1)C1CC1.
What is the InChIKey of ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate?
The InChIKey is OFTHXOQUVWIBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-18(14-8-6-5-7-9-14)12-16(17,13-10-11-13)15(19)20-4-2/h13-14H,3-12,17H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate?
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate has a molecular weight of 282.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate is sourced from PubChem (CID 63908666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).