(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid

C11H13F2NO3 — CID 95604286

IUPAC(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
SMILESCCOc1ccc(F)c(C[C@H](N)C(=O)O)c1F
InChIInChI=1S/C11H13F2NO3/c1-2-17-9-4-3-7(12)6(10(9)13)5-8(14)11(15)16/h3-4,8H,2,5,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJWUOGFHCCLUCBY-QMMMGPOBSA-N
MW245.22 g/mol
LogP1.32
Rot. Bonds5

About (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid

(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid (PubChem CID 95604286) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
PubChem CID95604286
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
SMILESCCOc1ccc(F)c(C[C@H](N)C(=O)O)c1F
InChIInChI=1S/C11H13F2NO3/c1-2-17-9-4-3-7(12)6(10(9)13)5-8(14)11(15)16/h3-4,8H,2,5,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJWUOGFHCCLUCBY-QMMMGPOBSA-N
XLogP1.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid 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

(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
2-amino-3-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359427
(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679519
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid (CID 95604286) is (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid is CCOc1ccc(F)c(C[C@H](N)C(=O)O)c1F.
What is the InChIKey of (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid?
The InChIKey is JWUOGFHCCLUCBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-2-17-9-4-3-7(12)6(10(9)13)5-8(14)11(15)16/h3-4,8H,2,5,14H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid?
(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid has a molecular weight of 245.22 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid is sourced from PubChem (CID 95604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).