methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate

C17H23NO3 — CID 63919019

IUPACmethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(C)c1)(NC1CC1)C1CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-15(10-12)21-11-17(13-6-7-13,16(19)20-2)18-14-8-9-14/h3-5,10,13-14,18H,6-9,11H2,1-2H3
InChIKeyUMBQJIQUKNBXHL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.45
Rot. Bonds7

About methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate

methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate (PubChem CID 63919019) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
PubChem CID63919019
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(C)c1)(NC1CC1)C1CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-15(10-12)21-11-17(13-6-7-13,16(19)20-2)18-14-8-9-14/h3-5,10,13-14,18H,6-9,11H2,1-2H3
InChIKeyUMBQJIQUKNBXHL-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921227
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(5-methylpyrimidin-2-yl)sulfanylpropanoate
CID 63919069
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82006240
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate (CID 63919019) is methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate is COC(=O)C(COc1cccc(C)c1)(NC1CC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate?
The InChIKey is UMBQJIQUKNBXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-3-5-15(10-12)21-11-17(13-6-7-13,16(19)20-2)18-14-8-9-14/h3-5,10,13-14,18H,6-9,11H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate?
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate has a molecular weight of 289.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 63919019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).