ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate

C16H23NO4 — CID 63920001

IUPACethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COc1ccc(OC)cc1)(NC)C1CC1
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)16(17-2,12-5-6-12)11-21-14-9-7-13(19-3)8-10-14/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyGNMASPOTGYLAPJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.01
Rot. Bonds8

About ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate

ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate (PubChem CID 63920001) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
PubChem CID63920001
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COc1ccc(OC)cc1)(NC)C1CC1
InChIInChI=1S/C16H23NO4/c1-4-20-15(18)16(17-2,12-5-6-12)11-21-14-9-7-13(19-3)8-10-14/h7-10,12,17H,4-6,11H2,1-3H3
InChIKeyGNMASPOTGYLAPJ-UHFFFAOYSA-N
XLogP2.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyclopropyl-3-(4-methoxyphenyl)sulfanyl-2-(methylamino)propanoate
CID 63917859
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
methyl 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylphenoxy)propanoate
CID 63918613
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
3-(4-butan-2-ylphenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 107667914
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate (CID 63920001) is ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate is CCOC(=O)C(COc1ccc(OC)cc1)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate?
The InChIKey is GNMASPOTGYLAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-15(18)16(17-2,12-5-6-12)11-21-14-9-7-13(19-3)8-10-14/h7-10,12,17H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 63920001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).