fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid

C9H9FmN2O3- — CID 171093339

IUPACfermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
SMILESO=[C-]NC(Cc1ccccn1)C(=O)O.[Fm]
InChIInChI=1S/C9H9N2O3.Fm/c12-6-11-8(9(13)14)5-7-3-1-2-4-10-7;/h1-4,8H,5H2,(H,11,12)(H,13,14);/q-1;
InChIKeyBCUBFRIBQWUBHC-UHFFFAOYSA-N
MW450.18 g/mol
LogP-0.27
Rot. Bonds5

About fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid

fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid (PubChem CID 171093339) has the molecular formula C9H9FmN2O3- and a molecular weight of 450.18 g/mol. Its IUPAC name is fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Namefermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
PubChem CID171093339
Molecular FormulaC9H9FmN2O3-
Molecular Weight450.18 g/mol
Exact Mass450.16
IUPAC Namefermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid
SMILESO=[C-]NC(Cc1ccccn1)C(=O)O.[Fm]
InChIInChI=1S/C9H9N2O3.Fm/c12-6-11-8(9(13)14)5-7-3-1-2-4-10-7;/h1-4,8H,5H2,(H,11,12)(H,13,14);/q-1;
InChIKeyBCUBFRIBQWUBHC-UHFFFAOYSA-N
XLogP-0.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-(cyclopentanecarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 166247442
(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
CID 88932015
fermium;2-(oxomethylamino)-4-phenylbutanoic acid
CID 166481870
2-[[(2R)-3-carboxy-1-pyridin-2-ylbut-3-en-2-yl]amino]-4-methylpentanoic acid
CID 142163725
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029

Frequently Asked Questions

What is the IUPAC name of fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid?
The IUPAC name of fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid (CID 171093339) is fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid is O=[C-]NC(Cc1ccccn1)C(=O)O.[Fm].
What is the InChIKey of fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid?
The InChIKey is BCUBFRIBQWUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O3.Fm/c12-6-11-8(9(13)14)5-7-3-1-2-4-10-7;/h1-4,8H,5H2,(H,11,12)(H,13,14);/q-1;.
What are the key properties of fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid?
fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid has a molecular weight of 450.18 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-(oxomethylamino)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 171093339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).