fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate

C8H11FmN2O4- — CID 166105970

IUPACfermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate
SMILES[Fm].[H]/N=C/C(=O)CCC(N[C-]=O)C(=O)OC
InChIInChI=1S/C8H11N2O4.Fm/c1-14-8(13)7(10-5-11)3-2-6(12)4-9;/h4,7,9H,2-3H2,1H3,(H,10,11);/q-1;/b9-4+;
InChIKeyJCLNKKYDTLRMSM-JOKMOOFLSA-N
MW456.19 g/mol
LogP-0.82
Rot. Bonds7

About fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate

fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate (PubChem CID 166105970) has the molecular formula C8H11FmN2O4- and a molecular weight of 456.19 g/mol. Its IUPAC name is fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate.

Molecular Properties

Compound Namefermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate
PubChem CID166105970
Molecular FormulaC8H11FmN2O4-
Molecular Weight456.19 g/mol
Exact Mass456.17
IUPAC Namefermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate
SMILES[Fm].[H]/N=C/C(=O)CCC(N[C-]=O)C(=O)OC
InChIInChI=1S/C8H11N2O4.Fm/c1-14-8(13)7(10-5-11)3-2-6(12)4-9;/h4,7,9H,2-3H2,1H3,(H,10,11);/q-1;/b9-4+;
InChIKeyJCLNKKYDTLRMSM-JOKMOOFLSA-N
XLogP-0.82
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-imino-2-methyl-5-oxohexanoic acid
CID 177044408
(5S)-5-amino-1-iminoheptane-2,6-dione
CID 174311623
ethyl 2-amino-6-imino-5-oxohexanoate
CID 135219340
ethyl (2S)-2-amino-6-imino-5-oxohexanoate
CID 126555769
[(2S)-4,4,4-trifluorobutan-2-yl] (2S)-6-imino-2-[[(2S)-2-methoxypropanoyl]amino]-5-oxohexanoate
CID 170445958
methoxymethyl (2S)-6-imino-2-[[(2R)-2-methoxypropanoyl]amino]-5-oxohexanoate
CID 167014854
propan-2-yl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015808
trifluoromethyl (2S)-6-imino-2-[[(2R)-2-methoxypropanoyl]amino]-5-oxohexanoate
CID 170446005
propan-2-yl (2S)-2-(3-hydroxypropanoylamino)-6-imino-5-oxohexanoate
CID 167015814
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxypentanoyl]amino]-5-oxohexanoate
CID 167014874
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxy-4-methylpentanoyl]amino]-5-oxohexanoate
CID 167014856
propan-2-yl (2S)-6-imino-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-5-oxohexanoate
CID 167014909

Frequently Asked Questions

What is the IUPAC name of fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate?
The IUPAC name of fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate (CID 166105970) is fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate.
What is the SMILES notation for fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate?
The canonical SMILES for fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate is [Fm].[H]/N=C/C(=O)CCC(N[C-]=O)C(=O)OC.
What is the InChIKey of fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate?
The InChIKey is JCLNKKYDTLRMSM-JOKMOOFLSA-N. The full InChI is InChI=1S/C8H11N2O4.Fm/c1-14-8(13)7(10-5-11)3-2-6(12)4-9;/h4,7,9H,2-3H2,1H3,(H,10,11);/q-1;/b9-4+;.
What are the key properties of fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate?
fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate has a molecular weight of 456.19 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;methyl 6-imino-5-oxo-2-(oxomethylamino)hexanoate is sourced from PubChem (CID 166105970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).