2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid

C24H22N2O3 — CID 142700797

IUPAC2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-22(28)16-25-23(29)21-17-26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,29)(H,27,28)
InChIKeyUBNRZXJRCGDVJI-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.86
Rot. Bonds7

About 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid

2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid (PubChem CID 142700797) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
PubChem CID142700797
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-22(28)16-25-23(29)21-17-26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,29)(H,27,28)
InChIKeyUBNRZXJRCGDVJI-UHFFFAOYSA-N
XLogP2.86
TPSA69.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
methyl 1-benzyl-3-(1-tritylaziridine-2-carbonyl)imidazolidine-4-carboxylate
CID 175300751
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
2-[[3-(hydroxyamino)-2-methyl-3-oxo-2-phenylpropanoyl]amino]acetic acid
CID 88652446
2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 24803212
1-tritylazetidine-3-carboxylic acid
CID 53445406
1-(1-tritylaziridin-2-yl)propan-1-ol
CID 163775047

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid (CID 142700797) is 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid?
The InChIKey is UBNRZXJRCGDVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22(28)16-25-23(29)21-17-26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,25,29)(H,27,28).
What are the key properties of 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid?
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 142700797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).