methyl 2-(tritylamino)acetate

C22H21NO2 — CID 637611

IUPACmethyl 2-(tritylamino)acetate
SMILESCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-25-21(24)17-23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3
InChIKeyQFCOXPSJQAJMPM-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.74
Rot. Bonds6

About methyl 2-(tritylamino)acetate

methyl 2-(tritylamino)acetate (PubChem CID 637611) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 2-(tritylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(tritylamino)acetate
PubChem CID637611
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Namemethyl 2-(tritylamino)acetate
SMILESCOC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-25-21(24)17-23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3
InChIKeyQFCOXPSJQAJMPM-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
[hydroxy-[(2-methoxy-2-oxoethyl)amino]-phenoxymethyl]phosphonic acid
CID 22764519
methyl 5-hydroxy-4-oxo-5,5-diphenylpentanoate
CID 11609089
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-(tritylamino)-N-[(1S,2S)-2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide
CID 96582243
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
CID 67323005
ethyl 3-[2-[[2-(tritylamino)acetyl]amino]ethylsulfanyl]propanoate
CID 121476383
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194

Frequently Asked Questions

What is the IUPAC name of methyl 2-(tritylamino)acetate?
The IUPAC name of methyl 2-(tritylamino)acetate (CID 637611) is methyl 2-(tritylamino)acetate.
What is the SMILES notation for methyl 2-(tritylamino)acetate?
The canonical SMILES for methyl 2-(tritylamino)acetate is COC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(tritylamino)acetate?
The InChIKey is QFCOXPSJQAJMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-25-21(24)17-23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3.
What are the key properties of methyl 2-(tritylamino)acetate?
methyl 2-(tritylamino)acetate has a molecular weight of 331.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tritylamino)acetate is sourced from PubChem (CID 637611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).