bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate

C52H45NO5 — CID 51341199

IUPACbis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate
SMILESCc1ccc(C(OC(=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H45NO5/c1-36-26-30-38(31-27-36)49(39-32-28-37(2)29-33-39)58-50(54)48(53-51(55)56-34-47-45-24-14-12-22-43(45)44-23-13-15-25-46(44)47)35-57-52(40-16-6-3-7-17-40,41-18-8-4-9-19-41)42-20-10-5-11-21-42/h3-33,47-49H,34-35H2,1-2H3,(H,53,55)/t48-/m1/s1
InChIKeyQSNRMXNXYFHQFH-QSCHNALKSA-N
MW763.93 g/mol
LogP10.85
Rot. Bonds13

About bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate

bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate (PubChem CID 51341199) has the molecular formula C52H45NO5 and a molecular weight of 763.93 g/mol. Its IUPAC name is bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate.

Molecular Properties

Compound Namebis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate
PubChem CID51341199
Molecular FormulaC52H45NO5
Molecular Weight763.93 g/mol
Exact Mass763.33
IUPAC Namebis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate
SMILESCc1ccc(C(OC(=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H45NO5/c1-36-26-30-38(31-27-36)49(39-32-28-37(2)29-33-39)58-50(54)48(53-51(55)56-34-47-45-24-14-12-22-43(45)44-23-13-15-25-46(44)47)35-57-52(40-16-6-3-7-17-40,41-18-8-4-9-19-41)42-20-10-5-11-21-42/h3-33,47-49H,34-35H2,1-2H3,(H,53,55)/t48-/m1/s1
InChIKeyQSNRMXNXYFHQFH-QSCHNALKSA-N
XLogP10.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylphenyl)methyl (2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 51341183
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 51341278
(2,3,4,5,6-pentafluorophenyl) (2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 11377796
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate
CID 145269584
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoyl]-methylamino]-4-methylpentanoic acid
CID 11636178
bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate
CID 158360660
tert-butyl 3-[(2S)-3-[bis(4-methylphenyl)methoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]indole-1-carboxylate
CID 51341204
9H-fluoren-9-ylmethyl N-[(2S)-1-amino-4-[[(4-methylphenyl)-diphenylmethyl]amino]-1-oxobutan-2-yl]carbamate
CID 163342980
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
trityl 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 175747686
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[(4-methylphenyl)-diphenylmethyl]amino]pentanoic acid
CID 46737310
9H-fluoren-9-ylmethyl N-[(2S)-1-(4-methylphenyl)-3-oxobutan-2-yl]carbamate
CID 118944728

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate?
The IUPAC name of bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate (CID 51341199) is bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate.
What is the SMILES notation for bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate?
The canonical SMILES for bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate is Cc1ccc(C(OC(=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate?
The InChIKey is QSNRMXNXYFHQFH-QSCHNALKSA-N. The full InChI is InChI=1S/C52H45NO5/c1-36-26-30-38(31-27-36)49(39-32-28-37(2)29-33-39)58-50(54)48(53-51(55)56-34-47-45-24-14-12-22-43(45)44-23-13-15-25-46(44)47)35-57-52(40-16-6-3-7-17-40,41-18-8-4-9-19-41)42-20-10-5-11-21-42/h3-33,47-49H,34-35H2,1-2H3,(H,53,55)/t48-/m1/s1.
What are the key properties of bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate?
bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate has a molecular weight of 763.93 g/mol, XLogP of 10.85, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate is sourced from PubChem (CID 51341199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).