(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid

C25H23N3O2 — CID 7408287

IUPAC(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m0/s1
InChIKeyBSZQZNOAYQCQFZ-QHCPKHFHSA-N
MW397.48 g/mol
LogP3.68
Rot. Bonds7

About (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid

(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid (PubChem CID 7408287) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid
PubChem CID7408287
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid
SMILESN[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m0/s1
InChIKeyBSZQZNOAYQCQFZ-QHCPKHFHSA-N
XLogP3.68
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid (CID 7408287) is (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid is N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid?
The InChIKey is BSZQZNOAYQCQFZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid?
(2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid has a molecular weight of 397.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 7408287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).