1-(tritylamino)ethylphosphonic acid

C21H22NO3P — CID 150279074

IUPAC1-(tritylamino)ethylphosphonic acid
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C21H22NO3P/c1-17(26(23,24)25)22-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3,(H2,23,24,25)
InChIKeyGFEQCZCOOCLQOG-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.09
Rot. Bonds6

About 1-(tritylamino)ethylphosphonic acid

1-(tritylamino)ethylphosphonic acid (PubChem CID 150279074) has the molecular formula C21H22NO3P and a molecular weight of 367.39 g/mol. Its IUPAC name is 1-(tritylamino)ethylphosphonic acid.

Molecular Properties

Compound Name1-(tritylamino)ethylphosphonic acid
PubChem CID150279074
Molecular FormulaC21H22NO3P
Molecular Weight367.39 g/mol
Exact Mass367.13
IUPAC Name1-(tritylamino)ethylphosphonic acid
SMILESCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(O)O
InChIInChI=1S/C21H22NO3P/c1-17(26(23,24)25)22-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3,(H2,23,24,25)
InChIKeyGFEQCZCOOCLQOG-UHFFFAOYSA-N
XLogP4.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
(2S)-2-(tritylamino)propanal
CID 11723234
[5-methoxy-2,5-dioxo-4-(tritylamino)pentyl]phosphonic acid
CID 23187092
(2S)-3-methyl-2-(tritylamino)butanal
CID 139696692
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
benzyl N-[[methoxy-[1-(tritylamino)ethyl]phosphoryl]-phenylmethyl]carbamate
CID 11975938
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
2-(tritylamino)pentanoic acid
CID 70010724
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[(3S)-4-cyclohexyl-2-oxo-3-(tritylamino)butyl]phosphonic acid
CID 70082757

Frequently Asked Questions

What is the IUPAC name of 1-(tritylamino)ethylphosphonic acid?
The IUPAC name of 1-(tritylamino)ethylphosphonic acid (CID 150279074) is 1-(tritylamino)ethylphosphonic acid.
What is the SMILES notation for 1-(tritylamino)ethylphosphonic acid?
The canonical SMILES for 1-(tritylamino)ethylphosphonic acid is CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(O)O.
What is the InChIKey of 1-(tritylamino)ethylphosphonic acid?
The InChIKey is GFEQCZCOOCLQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO3P/c1-17(26(23,24)25)22-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,22H,1H3,(H2,23,24,25).
What are the key properties of 1-(tritylamino)ethylphosphonic acid?
1-(tritylamino)ethylphosphonic acid has a molecular weight of 367.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tritylamino)ethylphosphonic acid is sourced from PubChem (CID 150279074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).