methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate

C27H29NO3 — CID 11004236

IUPACmethyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](C)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO3/c1-21-18-25(28(19-21)26(29)30-2)20-31-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25H,18-20H2,1-2H3/t21-,25+/m1/s1
InChIKeyLOBWDWSCZJHACW-BWKNWUBXSA-N
MW415.53 g/mol
LogP5.47
Rot. Bonds6

About methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate

methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 11004236) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate
PubChem CID11004236
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Namemethyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](C)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO3/c1-21-18-25(28(19-21)26(29)30-2)20-31-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25H,18-20H2,1-2H3/t21-,25+/m1/s1
InChIKeyLOBWDWSCZJHACW-BWKNWUBXSA-N
XLogP5.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate 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

Benzyl 3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate
CID 44560548
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
4-Benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine
CID 127027195
Benzyl {1-[5-(benzyloxy)-3-phenylhexyl]piperidin-4-yl}ethylcarbamate
CID 3010255
Mlv 3076
CID 128596
1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
3-Pyrrolidinol, 2-methyl-1-phenethyl-3-phenyl-, propionate (ester)
CID 3053132
1,2,4-Trimethyl-3-phenylpyrrolidin-3-yl propanoate
CID 3063630
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
7-Methyl-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 44560643

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate (CID 11004236) is methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate is COC(=O)N1C[C@H](C)C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is LOBWDWSCZJHACW-BWKNWUBXSA-N. The full InChI is InChI=1S/C27H29NO3/c1-21-18-25(28(19-21)26(29)30-2)20-31-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25H,18-20H2,1-2H3/t21-,25+/m1/s1.
What are the key properties of methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate?
methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-methyl-2-(trityloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11004236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).