(2S)-4-methyl-2-(tritylamino)pentanoic acid

C25H27NO2 — CID 7292274

IUPAC(2S)-4-methyl-2-(tritylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)/t23-/m0/s1
InChIKeyUHUHDVGYLSYYGD-QHCPKHFHSA-N
MW373.50 g/mol
LogP5.07
Rot. Bonds8

About (2S)-4-methyl-2-(tritylamino)pentanoic acid

(2S)-4-methyl-2-(tritylamino)pentanoic acid (PubChem CID 7292274) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S)-4-methyl-2-(tritylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(tritylamino)pentanoic acid
PubChem CID7292274
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2S)-4-methyl-2-(tritylamino)pentanoic acid
SMILESCC(C)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)/t23-/m0/s1
InChIKeyUHUHDVGYLSYYGD-QHCPKHFHSA-N
XLogP5.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-4-methyl-2-(tritylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(tritylamino)pentanoic acid (CID 7292274) is (2S)-4-methyl-2-(tritylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(tritylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(tritylamino)pentanoic acid is CC(C)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(tritylamino)pentanoic acid?
The InChIKey is UHUHDVGYLSYYGD-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(2)18-23(24(27)28)26-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26H,18H2,1-2H3,(H,27,28)/t23-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(tritylamino)pentanoic acid?
(2S)-4-methyl-2-(tritylamino)pentanoic acid has a molecular weight of 373.50 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(tritylamino)pentanoic acid is sourced from PubChem (CID 7292274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).