(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid

C9H11FN2O2 — CID 11019837

IUPAC(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
SMILESN[C@H](C(=O)O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)/t7-,8+/m1/s1
InChIKeyVAVUEGBRZXNJOT-SFYZADRCSA-N
MW198.20 g/mol
LogP0.24
Rot. Bonds3

About (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid

(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid (PubChem CID 11019837) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
PubChem CID11019837
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
SMILESN[C@H](C(=O)O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C9H11FN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)/t7-,8+/m1/s1
InChIKeyVAVUEGBRZXNJOT-SFYZADRCSA-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 (2S,3R)-2,3-diamino-3-(4-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

(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
2,3-diamino-3-(4-propan-2-ylsulfanylphenyl)propanoic acid
CID 116942259
(2S)-2-amino-3-[(4-fluorophenyl)sulfonylamino]butanedioic acid
CID 134157558
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-(4-fluorophenyl)-2-hydrazinylacetic acid
CID 82125359
(2S,4R)-2-amino-4-(4-fluorophenyl)hex-5-ynoic acid
CID 165387166
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
CID 158720489

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid (CID 11019837) is (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid is N[C@H](C(=O)O)[C@H](N)c1ccc(F)cc1.
What is the InChIKey of (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid?
The InChIKey is VAVUEGBRZXNJOT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid?
(2S,3R)-2,3-diamino-3-(4-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 (2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 11019837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).