2-acetamido-2-(tritylamino)acetic acid

C23H22N2O3 — CID 57262896

IUPAC2-acetamido-2-(tritylamino)acetic acid
SMILESCC(=O)NC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O3/c1-17(26)24-21(22(27)28)25-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,25H,1H3,(H,24,26)(H,27,28)
InChIKeyNPWXHAUNCUULBH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds7

About 2-acetamido-2-(tritylamino)acetic acid

2-acetamido-2-(tritylamino)acetic acid (PubChem CID 57262896) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-acetamido-2-(tritylamino)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(tritylamino)acetic acid
PubChem CID57262896
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-acetamido-2-(tritylamino)acetic acid
SMILESCC(=O)NC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O3/c1-17(26)24-21(22(27)28)25-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,25H,1H3,(H,24,26)(H,27,28)
InChIKeyNPWXHAUNCUULBH-UHFFFAOYSA-N
XLogP3.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
2-(tritylamino)pentanoic acid
CID 70010724
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
2-oxo-N-tritylpropanamide
CID 165388069
1-(tritylamino)ethylphosphonic acid
CID 150279074
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid
CID 142671764
(2S)-2-(tritylamino)propanal
CID 11723234
2-fluoro-2-(tritylamino)ethanol
CID 166795725
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(tritylamino)acetic acid?
The IUPAC name of 2-acetamido-2-(tritylamino)acetic acid (CID 57262896) is 2-acetamido-2-(tritylamino)acetic acid.
What is the SMILES notation for 2-acetamido-2-(tritylamino)acetic acid?
The canonical SMILES for 2-acetamido-2-(tritylamino)acetic acid is CC(=O)NC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-acetamido-2-(tritylamino)acetic acid?
The InChIKey is NPWXHAUNCUULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17(26)24-21(22(27)28)25-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,25H,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-acetamido-2-(tritylamino)acetic acid?
2-acetamido-2-(tritylamino)acetic acid has a molecular weight of 374.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(tritylamino)acetic acid is sourced from PubChem (CID 57262896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).