(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid

C28H23NO3 — CID 142671764

IUPAC(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid
SMILESO=C(O)C(=O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO3/c30-26(27(31)32)25(21-13-5-1-6-14-21)29-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25,29H,(H,31,32)/t25-/m1/s1
InChIKeyVOTUUIMADVKJRZ-RUZDIDTESA-N
MW421.50 g/mol
LogP4.96
Rot. Bonds8

About (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid

(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid (PubChem CID 142671764) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid
PubChem CID142671764
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid
SMILESO=C(O)C(=O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO3/c30-26(27(31)32)25(21-13-5-1-6-14-21)29-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25,29H,(H,31,32)/t25-/m1/s1
InChIKeyVOTUUIMADVKJRZ-RUZDIDTESA-N
XLogP4.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
2-(tritylamino)pentanoic acid
CID 70010724
2-oxo-3-phenylbutanedioic acid
CID 20555666
1-(tritylamino)ethylphosphonic acid
CID 150279074
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
(2S)-2-(tritylamino)propanal
CID 11723234
2-fluoro-2-(tritylamino)ethanol
CID 166795725
(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
CID 124679301
hydroxy-oxo-[(E)-3-phenyl-3-(tritylamino)prop-1-enoxy]phosphanium
CID 175512392
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid?
The IUPAC name of (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid (CID 142671764) is (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid.
What is the SMILES notation for (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid?
The canonical SMILES for (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid is O=C(O)C(=O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid?
The InChIKey is VOTUUIMADVKJRZ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H23NO3/c30-26(27(31)32)25(21-13-5-1-6-14-21)29-28(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25,29H,(H,31,32)/t25-/m1/s1.
What are the key properties of (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid?
(3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid has a molecular weight of 421.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-3-phenyl-3-(tritylamino)propanoic acid is sourced from PubChem (CID 142671764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).