2-(methoxyamino)-2-trityliminoacetic acid

C22H20N2O3 — CID 14773355

IUPAC2-(methoxyamino)-2-trityliminoacetic acid
SMILESCON/C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H20N2O3/c1-27-24-20(21(25)26)23-22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24)(H,25,26)
InChIKeyFVLQMUMFHGMTCC-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.61
Rot. Bonds5

About 2-(methoxyamino)-2-trityliminoacetic acid

2-(methoxyamino)-2-trityliminoacetic acid (PubChem CID 14773355) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(methoxyamino)-2-trityliminoacetic acid.

Molecular Properties

Compound Name2-(methoxyamino)-2-trityliminoacetic acid
PubChem CID14773355
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(methoxyamino)-2-trityliminoacetic acid
SMILESCON/C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H20N2O3/c1-27-24-20(21(25)26)23-22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24)(H,25,26)
InChIKeyFVLQMUMFHGMTCC-UHFFFAOYSA-N
XLogP3.61
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-2,2,2-triphenylacetamide
CID 175153772
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
1,1-diphenylethyl carbamate
CID 20976713
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
4-[methoxy(diphenyl)methyl]benzohydrazide
CID 70009539
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-methoxy-2-phenylpropanehydrazide
CID 138489021

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-2-trityliminoacetic acid?
The IUPAC name of 2-(methoxyamino)-2-trityliminoacetic acid (CID 14773355) is 2-(methoxyamino)-2-trityliminoacetic acid.
What is the SMILES notation for 2-(methoxyamino)-2-trityliminoacetic acid?
The canonical SMILES for 2-(methoxyamino)-2-trityliminoacetic acid is CON/C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(methoxyamino)-2-trityliminoacetic acid?
The InChIKey is FVLQMUMFHGMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-24-20(21(25)26)23-22(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(methoxyamino)-2-trityliminoacetic acid?
2-(methoxyamino)-2-trityliminoacetic acid has a molecular weight of 360.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-2-trityliminoacetic acid is sourced from PubChem (CID 14773355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).