benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate

C31H31NO4 — CID 59735285

IUPACbenzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
SMILESO=C(NC[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H31NO4/c33-29(23-32-30(34)35-24-25-13-5-1-6-14-25)21-22-36-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,33H,21-24H2,(H,32,34)/t29-/m0/s1
InChIKeyHSKPDSIOXKNNCW-LJAQVGFWSA-N
MW481.59 g/mol
LogP5.67
Rot. Bonds11

About benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate

benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate (PubChem CID 59735285) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
PubChem CID59735285
Molecular FormulaC31H31NO4
Molecular Weight481.59 g/mol
Exact Mass481.23
IUPAC Namebenzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
SMILESO=C(NC[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H31NO4/c33-29(23-32-30(34)35-24-25-13-5-1-6-14-25)21-22-36-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,33H,21-24H2,(H,32,34)/t29-/m0/s1
InChIKeyHSKPDSIOXKNNCW-LJAQVGFWSA-N
XLogP5.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-2,4-dihydroxybutyl]carbamate;benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate;dichloromethane
CID 158234775
benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
CID 68749958
4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
CID 21023353
1,5-ditrityloxypentan-3-ol
CID 140507927
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
CID 18675620
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
(2S)-2-(phenylmethoxycarbonylamino)-3-trityloxypropanoic acid
CID 56777141
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
(2S)-3-methyl-3-phenyl-2-(phenylmethoxycarbonylaminomethyl)butanoic acid
CID 156758866
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate (CID 59735285) is benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate is O=C(NC[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate?
The InChIKey is HSKPDSIOXKNNCW-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H31NO4/c33-29(23-32-30(34)35-24-25-13-5-1-6-14-25)21-22-36-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29,33H,21-24H2,(H,32,34)/t29-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate?
benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate has a molecular weight of 481.59 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate is sourced from PubChem (CID 59735285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).