ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate

C16H23NO4 — CID 63984055

IUPACethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(N)(COc1cccc(COC)c1)C1CC1
InChIInChI=1S/C16H23NO4/c1-3-20-15(18)16(17,13-7-8-13)11-21-14-6-4-5-12(9-14)10-19-2/h4-6,9,13H,3,7-8,10-11,17H2,1-2H3
InChIKeyCVTJCZIWXKGMJO-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.88
Rot. Bonds8

About ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate

ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate (PubChem CID 63984055) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
PubChem CID63984055
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
SMILESCCOC(=O)C(N)(COc1cccc(COC)c1)C1CC1
InChIInChI=1S/C16H23NO4/c1-3-20-15(18)16(17,13-7-8-13)11-21-14-6-4-5-12(9-14)10-19-2/h4-6,9,13H,3,7-8,10-11,17H2,1-2H3
InChIKeyCVTJCZIWXKGMJO-UHFFFAOYSA-N
XLogP1.88
TPSA70.78 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
ethyl 2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanoate
CID 63917282
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate (CID 63984055) is ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate is CCOC(=O)C(N)(COc1cccc(COC)c1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate?
The InChIKey is CVTJCZIWXKGMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-15(18)16(17,13-7-8-13)11-21-14-6-4-5-12(9-14)10-19-2/h4-6,9,13H,3,7-8,10-11,17H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate has a molecular weight of 293.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate is sourced from PubChem (CID 63984055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).