methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate

C16H29NO2 — CID 113330885

IUPACmethyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate
SMILESCCC1CCC(N(CC(=O)OC)C2CCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-8-10-15(11-9-13)17(12-16(18)19-2)14-6-4-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyMDYGFADSWUASDE-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.37
Rot. Bonds5

About methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate

methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate (PubChem CID 113330885) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate
PubChem CID113330885
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate
SMILESCCC1CCC(N(CC(=O)OC)C2CCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-8-10-15(11-9-13)17(12-16(18)19-2)14-6-4-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyMDYGFADSWUASDE-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate (CID 113330885) is methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate is CCC1CCC(N(CC(=O)OC)C2CCCC2)CC1.
What is the InChIKey of methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate?
The InChIKey is MDYGFADSWUASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-8-10-15(11-9-13)17(12-16(18)19-2)14-6-4-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate?
methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate has a molecular weight of 267.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate is sourced from PubChem (CID 113330885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).