methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate

C10H19NO3 — CID 114450564

IUPACmethyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCCN)CC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7,11H2,1H3
InChIKeyDPIFEFLSQKPCKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate

methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate (PubChem CID 114450564) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
PubChem CID114450564
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCCN)CC1
InChIInChI=1S/C10H19NO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7,11H2,1H3
InChIKeyDPIFEFLSQKPCKQ-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylate
CID 114450672
methyl 4-[3-(dimethylamino)-3-oxopropoxy]cyclohexane-1-carboxylate
CID 114450718
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
methyl 4-(2-propylsulfonylethoxy)cyclohexane-1-carboxylate
CID 106721827
methyl 4-(3-amino-2-methyl-3-oxopropoxy)cyclohexane-1-carboxylate
CID 114450817
methyl 4-(3-hydroxy-2-methylpropoxy)cyclohexane-1-carboxylate
CID 114450695
methyl 4-(2-hydroxy-2-methylbutoxy)cyclohexane-1-carboxylate
CID 114491375
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
methyl 4-[2-(4-methylphenyl)sulfonyloxyethoxy]cyclohexane-1-carboxylate
CID 146443657
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate (CID 114450564) is methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OCCN)CC1.
What is the InChIKey of methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate?
The InChIKey is DPIFEFLSQKPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7,11H2,1H3.
What are the key properties of methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate?
methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 114450564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).