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

C15H27NO3 — CID 64747155

IUPACmethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CCC(C)C(C)C1)C1CC1
InChIInChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-15(16,12-5-6-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3
InChIKeyDGLLFQLYERRHFL-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds5

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

methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate (PubChem CID 64747155) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
PubChem CID64747155
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CCC(C)C(C)C1)C1CC1
InChIInChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-15(16,12-5-6-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3
InChIKeyDGLLFQLYERRHFL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
methyl 2-amino-5-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoate
CID 64745594
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965
2-amino-3-(3,4-dimethylcyclohexyl)oxy-2-methylpropanenitrile
CID 64746560
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl 2-(cyclopropylamino)-3-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64744611
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate (CID 64747155) is methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate is COC(=O)C(N)(COC1CCC(C)C(C)C1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate?
The InChIKey is DGLLFQLYERRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-4-7-13(8-11(10)2)19-9-15(16,12-5-6-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate?
methyl 2-amino-2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxypropanoate has a molecular weight of 269.38 g/mol, XLogP of 2.11, 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-(3,4-dimethylcyclohexyl)oxypropanoate is sourced from PubChem (CID 64747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).