(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid

C23H21NO2 — CID 87794852

IUPAC(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-17-21(22(25)26)24(17)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3,(H,25,26)/t17-,21+,24?/m0/s1
InChIKeyHUPXHRVMFVVBCY-FSWLIYMRSA-N
MW343.43 g/mol
LogP4.14
Rot. Bonds5

About (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid

(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid (PubChem CID 87794852) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
PubChem CID87794852
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-17-21(22(25)26)24(17)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3,(H,25,26)/t17-,21+,24?/m0/s1
InChIKeyHUPXHRVMFVVBCY-FSWLIYMRSA-N
XLogP4.14
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid (CID 87794852) is (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid is C[C@H]1[C@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid?
The InChIKey is HUPXHRVMFVVBCY-FSWLIYMRSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-21(22(25)26)24(17)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3,(H,25,26)/t17-,21+,24?/m0/s1.
What are the key properties of (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid?
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid is sourced from PubChem (CID 87794852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).