ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate

C15H29NO2 — CID 107428371

IUPACethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H29NO2/c1-5-18-15(17)12(4)16-14-8-6-7-13(10-14)9-11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyLRAXQDANAAKXCN-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate

ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate (PubChem CID 107428371) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
PubChem CID107428371
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C15H29NO2/c1-5-18-15(17)12(4)16-14-8-6-7-13(10-14)9-11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyLRAXQDANAAKXCN-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate (CID 107428371) is ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate is CCOC(=O)C(C)NC1CCCC(CC(C)C)C1.
What is the InChIKey of ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate?
The InChIKey is LRAXQDANAAKXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-18-15(17)12(4)16-14-8-6-7-13(10-14)9-11(2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate?
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate is sourced from PubChem (CID 107428371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).