[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid

C31H40N2O4Si — CID 18672180

IUPAC[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)O
InChIInChI=1S/C31H40N2O4Si/c1-30(2,3)38(4,5)37-23-27(32-29(35)36)21-22-28(34)33-31(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27,32H,21-23H2,1-5H3,(H,33,34)(H,35,36)
InChIKeyDZWKVWLJFHBUFY-UHFFFAOYSA-N
MW532.76 g/mol
LogP6.53
Rot. Bonds11

About [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid

[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid (PubChem CID 18672180) has the molecular formula C31H40N2O4Si and a molecular weight of 532.76 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
PubChem CID18672180
Molecular FormulaC31H40N2O4Si
Molecular Weight532.76 g/mol
Exact Mass532.28
IUPAC Name[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)O
InChIInChI=1S/C31H40N2O4Si/c1-30(2,3)38(4,5)37-23-27(32-29(35)36)21-22-28(34)33-31(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27,32H,21-23H2,1-5H3,(H,33,34)(H,35,36)
InChIKeyDZWKVWLJFHBUFY-UHFFFAOYSA-N
XLogP6.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.76
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
tert-butyl N-[1-[(2S)-1-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]amino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 10887420
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-(tritylamino)propyl]carbamic acid
CID 67434977
tert-butyl N-[(1S)-1-[(2R)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-furan-2-yl]-4-oxo-4-(tritylamino)butyl]carbamate
CID 177401256
(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
CID 11489409
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
ethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2S)-3-methoxy-2-(tritylamino)propanethioyl]amino]propanoate
CID 10769998
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
N-tritylpentanamide
CID 71163215
(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
CID 153277346

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid (CID 18672180) is [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid is CC(C)(C)[Si](C)(C)OCC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)O.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid?
The InChIKey is DZWKVWLJFHBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O4Si/c1-30(2,3)38(4,5)37-23-27(32-29(35)36)21-22-28(34)33-31(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27,32H,21-23H2,1-5H3,(H,33,34)(H,35,36).
What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid?
[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid has a molecular weight of 532.76 g/mol, XLogP of 6.53, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid is sourced from PubChem (CID 18672180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).