methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate

C24H25NO3 — CID 11025190

IUPACmethyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate
SMILESCOC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22+/m1/s1
InChIKeyKXZWRQGFZBZTOO-GCJKJVERSA-N
MW375.47 g/mol
LogP3.49
Rot. Bonds7

About methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate

methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate (PubChem CID 11025190) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate
PubChem CID11025190
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate
SMILESCOC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)O
InChIInChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22+/m1/s1
InChIKeyKXZWRQGFZBZTOO-GCJKJVERSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate 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

L-leucine,n-(triphenylmethyl)-
CID 270298
N-Benzyl-L-serine, methyl ester
CID 11790456
N-Tritylglycine ethyl ester
CID 262774
N-Tritylglycine
CID 248898
(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 147980044
(2R)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 147980045
2-[[3-[(E)-2-[3-(4-fluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 149621262
3-hydroxy-2-(hydroxymethyl)-2-[[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 149838076
3-Hydroxy-2-[[3-[2-(2-methyl-3-phenylphenyl)ethyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 150111980
2-[[3-[(E)-2-[3-(2-fluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 151394079
2-[[3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 151979180
(2S)-2-[[3-[(E)-2-(2-fluoro-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 152016073

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate (CID 11025190) is methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate is COC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate?
The InChIKey is KXZWRQGFZBZTOO-GCJKJVERSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate?
methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate has a molecular weight of 375.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-(tritylamino)butanoate is sourced from PubChem (CID 11025190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).