tert-butyl 2-amino-3-trityloxypropanoate

C26H29NO3 — CID 68760349

IUPACtert-butyl 2-amino-3-trityloxypropanoate
SMILESCC(C)(C)OC(=O)C(N)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c1-25(2,3)30-24(28)23(27)19-29-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19,27H2,1-3H3
InChIKeyNHVNLOSIQJGOAN-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.66
Rot. Bonds7

About tert-butyl 2-amino-3-trityloxypropanoate

tert-butyl 2-amino-3-trityloxypropanoate (PubChem CID 68760349) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is tert-butyl 2-amino-3-trityloxypropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-trityloxypropanoate
PubChem CID68760349
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Nametert-butyl 2-amino-3-trityloxypropanoate
SMILESCC(C)(C)OC(=O)C(N)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c1-25(2,3)30-24(28)23(27)19-29-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19,27H2,1-3H3
InChIKeyNHVNLOSIQJGOAN-UHFFFAOYSA-N
XLogP4.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
tert-butyl 2-amino-4-oxo-4-(tritylamino)butanoate;hydrochloride
CID 138114608
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
tert-butyl 2-(1-trityloxybut-3-en-2-yloxy)acetate
CID 70557162
ditert-butyl 2-[(1S,2S)-1-hydroxy-2-trityloxypropyl]propanedioate
CID 11114188
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
3-hydroxy-4-methyl-5-trityloxypentan-2-one
CID 13129941
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
CID 134989278
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-trityloxypropanoate?
The IUPAC name of tert-butyl 2-amino-3-trityloxypropanoate (CID 68760349) is tert-butyl 2-amino-3-trityloxypropanoate.
What is the SMILES notation for tert-butyl 2-amino-3-trityloxypropanoate?
The canonical SMILES for tert-butyl 2-amino-3-trityloxypropanoate is CC(C)(C)OC(=O)C(N)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl 2-amino-3-trityloxypropanoate?
The InChIKey is NHVNLOSIQJGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-25(2,3)30-24(28)23(27)19-29-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19,27H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-trityloxypropanoate?
tert-butyl 2-amino-3-trityloxypropanoate has a molecular weight of 403.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-trityloxypropanoate is sourced from PubChem (CID 68760349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).