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

C31H31NO3 — CID 67156552

IUPACmethyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate
SMILESCOC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C31H31NO3/c1-24(35-23-25-15-7-3-8-16-25)29(30(33)34-2)32-31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,29,32H,23H2,1-2H3/t24-,29+/m1/s1
InChIKeyFUZHZYQPJZMZCW-GIGWZHCTSA-N
MW465.59 g/mol
LogP5.72
Rot. Bonds10

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

methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate (PubChem CID 67156552) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate
PubChem CID67156552
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Namemethyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate
SMILESCOC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C31H31NO3/c1-24(35-23-25-15-7-3-8-16-25)29(30(33)34-2)32-31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,29,32H,23H2,1-2H3/t24-,29+/m1/s1
InChIKeyFUZHZYQPJZMZCW-GIGWZHCTSA-N
XLogP5.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,3R)-3-phenylmethoxy-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

methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
tert-butyl N-[(2S,3S)-1-amino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
CID 7035922
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
benzyl (2R)-3-iodo-2-(tritylamino)propanoate
CID 10530642
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate?
The IUPAC name of methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate (CID 67156552) is methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate.
What is the SMILES notation for methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate?
The canonical SMILES for methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate is COC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)OCc1ccccc1.
What is the InChIKey of methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate?
The InChIKey is FUZHZYQPJZMZCW-GIGWZHCTSA-N. The full InChI is InChI=1S/C31H31NO3/c1-24(35-23-25-15-7-3-8-16-25)29(30(33)34-2)32-31(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,29,32H,23H2,1-2H3/t24-,29+/m1/s1.
What are the key properties of methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate?
methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate has a molecular weight of 465.59 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate is sourced from PubChem (CID 67156552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).