ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate

C16H23NO3 — CID 63921568

IUPACethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H23NO3/c1-4-19-15(18)16(17,13-6-7-13)10-20-14-8-5-11(2)12(3)9-14/h5,8-9,13H,4,6-7,10,17H2,1-3H3
InChIKeyDIHUTTBFJIEZSX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.35
Rot. Bonds6

About ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate (PubChem CID 63921568) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
PubChem CID63921568
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C16H23NO3/c1-4-19-15(18)16(17,13-6-7-13)10-20-14-8-5-11(2)12(3)9-14/h5,8-9,13H,4,6-7,10,17H2,1-3H3
InChIKeyDIHUTTBFJIEZSX-UHFFFAOYSA-N
XLogP2.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
CID 63921373
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055
2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442
2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylphenoxy)propanamide
CID 63920781
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
CID 63920955
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
methyl 2-amino-2-cyclopropyl-3-(3-fluoro-4-nitrophenoxy)propanoate
CID 63920916
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate (CID 63921568) is ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate is CCOC(=O)C(N)(COc1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate?
The InChIKey is DIHUTTBFJIEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-15(18)16(17,13-6-7-13)10-20-14-8-5-11(2)12(3)9-14/h5,8-9,13H,4,6-7,10,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate is sourced from PubChem (CID 63921568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).