methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate

C15H27NO3 — CID 64730240

IUPACmethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CC(C)CC(C)C1)C1CC1
InChIInChI=1S/C15H27NO3/c1-10-6-11(2)8-13(7-10)19-9-15(16,12-4-5-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3
InChIKeyGMYIUDNOBKVINN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate

methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate (PubChem CID 64730240) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
PubChem CID64730240
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
SMILESCOC(=O)C(N)(COC1CC(C)CC(C)C1)C1CC1
InChIInChI=1S/C15H27NO3/c1-10-6-11(2)8-13(7-10)19-9-15(16,12-4-5-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3
InChIKeyGMYIUDNOBKVINN-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-(3,4-dimethylcyclohexyl)oxypropanoate
CID 64747155
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl 2-amino-2-cyclopropyl-3-(3-methylbutylsulfanyl)propanoate
CID 107756174
2-amino-3-cyclohexyloxy-2-cyclopropylpropanamide
CID 63918796
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
methyl 3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanoate
CID 64746760
methyl 2-amino-2-cyclopropyl-3-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 63927438

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate (CID 64730240) is methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate is COC(=O)C(N)(COC1CC(C)CC(C)C1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate?
The InChIKey is GMYIUDNOBKVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10-6-11(2)8-13(7-10)19-9-15(16,12-4-5-12)14(17)18-3/h10-13H,4-9,16H2,1-3H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate?
methyl 2-amino-2-cyclopropyl-3-(3,5-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-(3,5-dimethylcyclohexyl)oxypropanoate is sourced from PubChem (CID 64730240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).