methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate

C13H23NO3 — CID 112753596

IUPACmethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCC(O)C2CC2)CC1
InChIInChI=1S/C13H23NO3/c1-17-13(16)10-4-6-11(7-5-10)14-8-12(15)9-2-3-9/h9-12,14-15H,2-8H2,1H3
InChIKeyKNBFRGSXQVSMIT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds5

About methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate

methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate (PubChem CID 112753596) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
PubChem CID112753596
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCC(O)C2CC2)CC1
InChIInChI=1S/C13H23NO3/c1-17-13(16)10-4-6-11(7-5-10)14-8-12(15)9-2-3-9/h9-12,14-15H,2-8H2,1H3
InChIKeyKNBFRGSXQVSMIT-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238530
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633
methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
CID 112690080
methyl 4-(difluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 112690078
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
CID 115674517
1-cyclopropyl-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol
CID 55172935

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate (CID 112753596) is methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NCC(O)C2CC2)CC1.
What is the InChIKey of methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate?
The InChIKey is KNBFRGSXQVSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-13(16)10-4-6-11(7-5-10)14-8-12(15)9-2-3-9/h9-12,14-15H,2-8H2,1H3.
What are the key properties of methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 112753596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).