fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid

C25H23FmN2O4- — CID 166481771

IUPACfermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
SMILESO=[C-]NC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.[Fm]
InChIInChI=1S/C25H23N2O4.Fm/c28-18-26-22(24(30)31)16-17-23(29)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-17H2,(H,26,28)(H,27,29)(H,30,31);/q-1;
InChIKeyFVJAFNLJZWBQMD-UHFFFAOYSA-N
MW672.47 g/mol
LogP2.98
Rot. Bonds10

About fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid

fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid (PubChem CID 166481771) has the molecular formula C25H23FmN2O4- and a molecular weight of 672.47 g/mol. Its IUPAC name is fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid.

Molecular Properties

Compound Namefermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
PubChem CID166481771
Molecular FormulaC25H23FmN2O4-
Molecular Weight672.47 g/mol
Exact Mass672.26
IUPAC Namefermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
SMILESO=[C-]NC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.[Fm]
InChIInChI=1S/C25H23N2O4.Fm/c28-18-26-22(24(30)31)16-17-23(29)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-17H2,(H,26,28)(H,27,29)(H,30,31);/q-1;
InChIKeyFVJAFNLJZWBQMD-UHFFFAOYSA-N
XLogP2.98
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
CID 153277346
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
fermium;2-(oxomethylamino)-4-phenylbutanoic acid
CID 166481870
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 175863110
fermium;2-(oxomethylamino)-5-phenylpentanoic acid
CID 166481787
(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
CID 148701312
N-tritylpentanamide
CID 71163215
2-(tritylamino)pentanoic acid
CID 70010724
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175894610
(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429

Frequently Asked Questions

What is the IUPAC name of fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid?
The IUPAC name of fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid (CID 166481771) is fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid.
What is the SMILES notation for fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid?
The canonical SMILES for fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid is O=[C-]NC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.[Fm].
What is the InChIKey of fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid?
The InChIKey is FVJAFNLJZWBQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O4.Fm/c28-18-26-22(24(30)31)16-17-23(29)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-17H2,(H,26,28)(H,27,29)(H,30,31);/q-1;.
What are the key properties of fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid?
fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid has a molecular weight of 672.47 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid is sourced from PubChem (CID 166481771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).