2,3-diamino-3-(2-fluorophenyl)propanoic acid

C9H11FN2O2 — CID 116942285

IUPAC2,3-diamino-3-(2-fluorophenyl)propanoic acid
SMILESNC(C(=O)O)C(N)c1ccccc1F
InChIInChI=1S/C9H11FN2O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyACQJVSCQYIVOQE-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.24
Rot. Bonds3

About 2,3-diamino-3-(2-fluorophenyl)propanoic acid

2,3-diamino-3-(2-fluorophenyl)propanoic acid (PubChem CID 116942285) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2,3-diamino-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(2-fluorophenyl)propanoic acid
PubChem CID116942285
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2,3-diamino-3-(2-fluorophenyl)propanoic acid
SMILESNC(C(=O)O)C(N)c1ccccc1F
InChIInChI=1S/C9H11FN2O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyACQJVSCQYIVOQE-UHFFFAOYSA-N
XLogP0.24
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-diamino-3-(2-fluorophenyl)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

sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
CID 79357614
(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(2-fluorophenyl)propanoic acid (CID 116942285) is 2,3-diamino-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(2-fluorophenyl)propanoic acid is NC(C(=O)O)C(N)c1ccccc1F.
What is the InChIKey of 2,3-diamino-3-(2-fluorophenyl)propanoic acid?
The InChIKey is ACQJVSCQYIVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14).
What are the key properties of 2,3-diamino-3-(2-fluorophenyl)propanoic acid?
2,3-diamino-3-(2-fluorophenyl)propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 116942285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).