methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate

C14H19NO3 — CID 63919798

IUPACmethyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
SMILESCNC(COc1ccccc1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H19NO3/c1-15-14(11-8-9-11,13(16)17-2)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyWZESKLYWGFYJKO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds6

About methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate

methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate (PubChem CID 63919798) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
PubChem CID63919798
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
SMILESCNC(COc1ccccc1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H19NO3/c1-15-14(11-8-9-11,13(16)17-2)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyWZESKLYWGFYJKO-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
CID 63918613
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenoxy)propanoate
CID 63919019
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
2-cyclopropyl-2-(methylamino)-3-(3-nitrophenoxy)propanoic acid
CID 63920708
3-(4-butan-2-ylphenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 107667914
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-2-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 63918885
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate (CID 63919798) is methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate is CNC(COc1ccccc1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate?
The InChIKey is WZESKLYWGFYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-14(11-8-9-11,13(16)17-2)10-18-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate?
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate has a molecular weight of 249.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate is sourced from PubChem (CID 63919798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).