methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate

C15H27NO3 — CID 114342105

IUPACmethyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H27NO3/c1-14(2)8-6-12(7-9-14)19-10-15(16,11-4-5-11)13(17)18-3/h11-12H,4-10,16H2,1-3H3
InChIKeyYQVVVYMVGDAFPJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate

methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate (PubChem CID 114342105) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
PubChem CID114342105
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H27NO3/c1-14(2)8-6-12(7-9-14)19-10-15(16,11-4-5-11)13(17)18-3/h11-12H,4-10,16H2,1-3H3
InChIKeyYQVVVYMVGDAFPJ-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
CID 64730240
methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64747155
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
2-amino-3-cyclohexyloxy-2-cyclopropylpropanamide
CID 63918796
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
CID 114342006
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174
2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
CID 114342729
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate (CID 114342105) is methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate is COC(=O)C(N)(COC1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate?
The InChIKey is YQVVVYMVGDAFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)8-6-12(7-9-14)19-10-15(16,11-4-5-11)13(17)18-3/h11-12H,4-10,16H2,1-3H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate?
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate has a molecular weight of 269.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate is sourced from PubChem (CID 114342105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).