ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate

C14H17F2NO3 — CID 63921373

IUPACethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17,9-3-4-9)8-20-12-6-10(15)5-11(16)7-12/h5-7,9H,2-4,8,17H2,1H3
InChIKeyPDKZKDYGDAYGGT-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.01
Rot. Bonds6

About ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate

ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate (PubChem CID 63921373) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
PubChem CID63921373
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate
SMILESCCOC(=O)C(N)(COc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17,9-3-4-9)8-20-12-6-10(15)5-11(16)7-12/h5-7,9H,2-4,8,17H2,1H3
InChIKeyPDKZKDYGDAYGGT-UHFFFAOYSA-N
XLogP2.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
ethyl 2-amino-2-cyclopropyl-3-(3-methylphenoxy)propanoate
CID 63919017
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-amino-3-(3,5-difluorophenoxy)-2-methylpropanoic acid
CID 62785817
2-amino-3-(3,5-difluorophenoxy)-2-methylpropanamide
CID 62783596
1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
CID 63908587
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate (CID 63921373) is ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate is CCOC(=O)C(N)(COc1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate?
The InChIKey is PDKZKDYGDAYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-2-19-13(18)14(17,9-3-4-9)8-20-12-6-10(15)5-11(16)7-12/h5-7,9H,2-4,8,17H2,1H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate?
ethyl 2-amino-2-cyclopropyl-3-(3,5-difluorophenoxy)propanoate has a molecular weight of 285.29 g/mol, XLogP of 2.01, 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-(3,5-difluorophenoxy)propanoate is sourced from PubChem (CID 63921373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).