(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid

C24H24FNO3 — CID 139813680

IUPAC(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)[C@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO3/c25-21-14-8-7-13-20(21)15-22(23(27)24(28)29)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22-23,27H,15-17H2,(H,28,29)/t22-,23-/m0/s1
InChIKeyUANZCGWKXYCFPL-GOTSBHOMSA-N
MW393.46 g/mol
LogP3.88
Rot. Bonds9

About (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid

(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid (PubChem CID 139813680) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid
PubChem CID139813680
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)[C@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO3/c25-21-14-8-7-13-20(21)15-22(23(27)24(28)29)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22-23,27H,15-17H2,(H,28,29)/t22-,23-/m0/s1
InChIKeyUANZCGWKXYCFPL-GOTSBHOMSA-N
XLogP3.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic 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

ethyl (2R,3S)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 12174481
ethyl (2R,3R)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 101428408
2-(Dibenzylamino)-2-(4-fluorophenyl)acetic acid
CID 146161459
N,N-Dibenzyl-L-phenylalanine
CID 10980880
N,N-dibenzyl-dl-phenylalanine
CID 15622020
Propan-2-yl 3-(dibenzylamino)-3-(4-fluorophenyl)propanoate
CID 102007827
ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-fluorophenyl)propanoate
CID 15453755
3-[Benzyl(1-phenylethyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 21098295
(2R,3S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 22870435
methyl (2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53681935
methyl (2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53882501
(2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoic acid
CID 54470301

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid?
The IUPAC name of (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid (CID 139813680) is (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid.
What is the SMILES notation for (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid?
The canonical SMILES for (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid is O=C(O)[C@@H](O)[C@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid?
The InChIKey is UANZCGWKXYCFPL-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H24FNO3/c25-21-14-8-7-13-20(21)15-22(23(27)24(28)29)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22-23,27H,15-17H2,(H,28,29)/t22-,23-/m0/s1.
What are the key properties of (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid?
(2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid has a molecular weight of 393.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(dibenzylamino)-4-(2-fluorophenyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 139813680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).