fermium;2-(oxomethylamino)-4-phenylbutanoic acid

C11H12FmNO3- — CID 166481870

IUPACfermium;2-(oxomethylamino)-4-phenylbutanoic acid
SMILESO=[C-]NC(CCc1ccccc1)C(=O)O.[Fm]
InChIInChI=1S/C11H12NO3.Fm/c13-8-12-10(11(14)15)7-6-9-4-2-1-3-5-9;/h1-5,10H,6-7H2,(H,12,13)(H,14,15);/q-1;
InChIKeyIDIMSRPCSCUABH-UHFFFAOYSA-N
MW463.22 g/mol
LogP0.73
Rot. Bonds6

About fermium;2-(oxomethylamino)-4-phenylbutanoic acid

fermium;2-(oxomethylamino)-4-phenylbutanoic acid (PubChem CID 166481870) has the molecular formula C11H12FmNO3- and a molecular weight of 463.22 g/mol. Its IUPAC name is fermium;2-(oxomethylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Namefermium;2-(oxomethylamino)-4-phenylbutanoic acid
PubChem CID166481870
Molecular FormulaC11H12FmNO3-
Molecular Weight463.22 g/mol
Exact Mass463.18
IUPAC Namefermium;2-(oxomethylamino)-4-phenylbutanoic acid
SMILESO=[C-]NC(CCc1ccccc1)C(=O)O.[Fm]
InChIInChI=1S/C11H12NO3.Fm/c13-8-12-10(11(14)15)7-6-9-4-2-1-3-5-9;/h1-5,10H,6-7H2,(H,12,13)(H,14,15);/q-1;
InChIKeyIDIMSRPCSCUABH-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fermium;2-(oxomethylamino)-5-phenylpentanoic acid
CID 166481787
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
CID 166481771
(2S)-2-(pentan-3-ylcarbamoylamino)-4-phenylbutanoic acid
CID 104983577
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
fermium;3-(3-methylphenyl)-2-(oxomethylamino)propanoic acid
CID 166481750
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
2-(3-fluoroanilino)-4-phenylbutanoic acid
CID 62880426
2-[(3-carboxy-3-methylsulfanylpropyl)amino]-4-phenylbutanoic acid
CID 70079893

Frequently Asked Questions

What is the IUPAC name of fermium;2-(oxomethylamino)-4-phenylbutanoic acid?
The IUPAC name of fermium;2-(oxomethylamino)-4-phenylbutanoic acid (CID 166481870) is fermium;2-(oxomethylamino)-4-phenylbutanoic acid.
What is the SMILES notation for fermium;2-(oxomethylamino)-4-phenylbutanoic acid?
The canonical SMILES for fermium;2-(oxomethylamino)-4-phenylbutanoic acid is O=[C-]NC(CCc1ccccc1)C(=O)O.[Fm].
What is the InChIKey of fermium;2-(oxomethylamino)-4-phenylbutanoic acid?
The InChIKey is IDIMSRPCSCUABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO3.Fm/c13-8-12-10(11(14)15)7-6-9-4-2-1-3-5-9;/h1-5,10H,6-7H2,(H,12,13)(H,14,15);/q-1;.
What are the key properties of fermium;2-(oxomethylamino)-4-phenylbutanoic acid?
fermium;2-(oxomethylamino)-4-phenylbutanoic acid has a molecular weight of 463.22 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-(oxomethylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 166481870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).