methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium

C8H16N2O2Y-2 — CID 59978114

IUPACmethylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium
SMILESCC[C@H](C)C(=O)[N-]C.CN[C-]=O.[Y]
InChIInChI=1S/C6H13NO.C2H4NO.Y/c1-4-5(2)6(8)7-3;1-3-2-4;/h5H,4H2,1-3H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t5-;;/m0../s1
InChIKeyMRUDLHJPYSLFKD-XRIGFGBMSA-M
MW261.13 g/mol
LogP0.83
Rot. Bonds3

About methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium

methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium (PubChem CID 59978114) has the molecular formula C8H16N2O2Y-2 and a molecular weight of 261.13 g/mol. Its IUPAC name is methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium.

Molecular Properties

Compound Namemethylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium
PubChem CID59978114
Molecular FormulaC8H16N2O2Y-2
Molecular Weight261.13 g/mol
Exact Mass261.03
IUPAC Namemethylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium
SMILESCC[C@H](C)C(=O)[N-]C.CN[C-]=O.[Y]
InChIInChI=1S/C6H13NO.C2H4NO.Y/c1-4-5(2)6(8)7-3;1-3-2-4;/h5H,4H2,1-3H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t5-;;/m0../s1
InChIKeyMRUDLHJPYSLFKD-XRIGFGBMSA-M
XLogP0.83
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 50.83
H-Bond Donors ≤ 51
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

ethane;methyl(2-methylbutanoyl)azanide;yttrium
CID 177048514
[(2R)-2-aminobutanoyl]-methylazanide;methylaminomethanone;yttrium
CID 59978126
2-methylbutanoylcarbamic acid
CID 87928192
magnesium bis(2-methylbutanoate)
CID 88739715
4-methyl-2-(methylamino)hexan-3-one
CID 116564888
3,4,5-trimethylhept-3-enamide
CID 123981814
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N-acetyl-2-methylbutanamide
CID 59565834
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(5S)-5-methylheptane-2,4-dione
CID 59270261
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methane;(2S)-2-methylbutanoic acid
CID 159302978

Frequently Asked Questions

What is the IUPAC name of methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium?
The IUPAC name of methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium (CID 59978114) is methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium.
What is the SMILES notation for methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium?
The canonical SMILES for methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium is CC[C@H](C)C(=O)[N-]C.CN[C-]=O.[Y].
What is the InChIKey of methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium?
The InChIKey is MRUDLHJPYSLFKD-XRIGFGBMSA-M. The full InChI is InChI=1S/C6H13NO.C2H4NO.Y/c1-4-5(2)6(8)7-3;1-3-2-4;/h5H,4H2,1-3H3,(H,7,8);1H3,(H,3,4);/q;-1;/p-1/t5-;;/m0../s1.
What are the key properties of methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium?
methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium has a molecular weight of 261.13 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanone;methyl-[(2S)-2-methylbutanoyl]azanide;yttrium is sourced from PubChem (CID 59978114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).