methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate

C13H23NO3 — CID 106204408

IUPACmethyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(OCCC2CC2)C1
InChIInChI=1S/C13H23NO3/c1-16-12(15)13(14)7-2-3-11(9-13)17-8-6-10-4-5-10/h10-11H,2-9,14H2,1H3
InChIKeyPFHFXSDZZUXRSY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.62
Rot. Bonds5

About methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate

methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate (PubChem CID 106204408) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
PubChem CID106204408
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(OCCC2CC2)C1
InChIInChI=1S/C13H23NO3/c1-16-12(15)13(14)7-2-3-11(9-13)17-8-6-10-4-5-10/h10-11H,2-9,14H2,1H3
InChIKeyPFHFXSDZZUXRSY-UHFFFAOYSA-N
XLogP1.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate (CID 106204408) is methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(OCCC2CC2)C1.
What is the InChIKey of methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate?
The InChIKey is PFHFXSDZZUXRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-12(15)13(14)7-2-3-11(9-13)17-8-6-10-4-5-10/h10-11H,2-9,14H2,1H3.
What are the key properties of methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate?
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 106204408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).