[(2R)-2-(tritylamino)butyl] acetate

C25H27NO2 — CID 57328128

IUPAC[(2R)-2-(tritylamino)butyl] acetate
SMILESCC[C@H](COC(C)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-3-24(19-28-20(2)27)26-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,26H,3,19H2,1-2H3/t24-/m1/s1
InChIKeyZMTMWBRDDNKLQG-XMMPIXPASA-N
MW373.50 g/mol
LogP4.91
Rot. Bonds8

About [(2R)-2-(tritylamino)butyl] acetate

[(2R)-2-(tritylamino)butyl] acetate (PubChem CID 57328128) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [(2R)-2-(tritylamino)butyl] acetate.

Molecular Properties

Compound Name[(2R)-2-(tritylamino)butyl] acetate
PubChem CID57328128
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name[(2R)-2-(tritylamino)butyl] acetate
SMILESCC[C@H](COC(C)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-3-24(19-28-20(2)27)26-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,26H,3,19H2,1-2H3/t24-/m1/s1
InChIKeyZMTMWBRDDNKLQG-XMMPIXPASA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2R)-2-(tritylamino)butyl] acetate?
The IUPAC name of [(2R)-2-(tritylamino)butyl] acetate (CID 57328128) is [(2R)-2-(tritylamino)butyl] acetate.
What is the SMILES notation for [(2R)-2-(tritylamino)butyl] acetate?
The canonical SMILES for [(2R)-2-(tritylamino)butyl] acetate is CC[C@H](COC(C)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-(tritylamino)butyl] acetate?
The InChIKey is ZMTMWBRDDNKLQG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-24(19-28-20(2)27)26-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,26H,3,19H2,1-2H3/t24-/m1/s1.
What are the key properties of [(2R)-2-(tritylamino)butyl] acetate?
[(2R)-2-(tritylamino)butyl] acetate has a molecular weight of 373.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(tritylamino)butyl] acetate is sourced from PubChem (CID 57328128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).