ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate

C12H16FNO3 — CID 170885221

IUPACethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(F)cc1OC
InChIInChI=1S/C12H16FNO3/c1-3-17-12(15)10(14)6-8-4-5-9(13)7-11(8)16-2/h4-5,7,10H,3,6,14H2,1-2H3
InChIKeyMTYZOKGKDFSYKV-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate

ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate (PubChem CID 170885221) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
PubChem CID170885221
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(F)cc1OC
InChIInChI=1S/C12H16FNO3/c1-3-17-12(15)10(14)6-8-4-5-9(13)7-11(8)16-2/h4-5,7,10H,3,6,14H2,1-2H3
InChIKeyMTYZOKGKDFSYKV-UHFFFAOYSA-N
XLogP1.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
methyl (2S)-2-amino-3-(2,3-difluoro-4-methoxyphenyl)propanoate
CID 171238466
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate (CID 170885221) is ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(F)cc1OC.
What is the InChIKey of ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate?
The InChIKey is MTYZOKGKDFSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-17-12(15)10(14)6-8-4-5-9(13)7-11(8)16-2/h4-5,7,10H,3,6,14H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate?
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate has a molecular weight of 241.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate is sourced from PubChem (CID 170885221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).