ethyl 3-amino-3-(2,6-difluorophenyl)propanoate

C11H13F2NO2 — CID 43147915

IUPACethyl 3-amino-3-(2,6-difluorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO2/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-5,9H,2,6,14H2,1H3
InChIKeyRTJFRKAGLJQMQH-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.92
Rot. Bonds4

About ethyl 3-amino-3-(2,6-difluorophenyl)propanoate

ethyl 3-amino-3-(2,6-difluorophenyl)propanoate (PubChem CID 43147915) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl 3-amino-3-(2,6-difluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(2,6-difluorophenyl)propanoate
PubChem CID43147915
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl 3-amino-3-(2,6-difluorophenyl)propanoate
SMILESCCOC(=O)CC(N)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO2/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-5,9H,2,6,14H2,1H3
InChIKeyRTJFRKAGLJQMQH-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-amino-3-(2,6-difluorophenyl)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 (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
tert-butyl (3S)-3-amino-3-(2,6-difluorophenyl)propanoate
CID 155971124
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
ethyl (3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)propanoate
CID 171205164
ethyl (3S)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate;hydrochloride
CID 171226304
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)propanoate;hydrochloride
CID 171228607
ethyl (3S)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
CID 171235294
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 3-amino-3-[2-fluoro-5-(3-fluoro-2-methylphenyl)-3,4-dimethylphenyl]propanoate
CID 175326987
ethyl (3S)-3-amino-3-[3-(2,3-difluorophenyl)phenyl]propanoate
CID 140935410
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(2,6-difluorophenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(2,6-difluorophenyl)propanoate (CID 43147915) is ethyl 3-amino-3-(2,6-difluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(2,6-difluorophenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(2,6-difluorophenyl)propanoate is CCOC(=O)CC(N)c1c(F)cccc1F.
What is the InChIKey of ethyl 3-amino-3-(2,6-difluorophenyl)propanoate?
The InChIKey is RTJFRKAGLJQMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-5,9H,2,6,14H2,1H3.
What are the key properties of ethyl 3-amino-3-(2,6-difluorophenyl)propanoate?
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate has a molecular weight of 229.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(2,6-difluorophenyl)propanoate is sourced from PubChem (CID 43147915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).