2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium

C12H23NO3Y-2 — CID 154708184

IUPAC2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium
SMILESCN([C-]=O)CC(C)(C)C(=O)O.[CH2-]CC(C)C.[Y]
InChIInChI=1S/C7H12NO3.C5H11.Y/c1-7(2,6(10)11)4-8(3)5-9;1-4-5(2)3;/h4H2,1-3H3,(H,10,11);5H,1,4H2,2-3H3;/q2*-1;
InChIKeyRVMZRAPKXPKJRB-UHFFFAOYSA-N
MW318.23 g/mol
LogP1.96
Rot. Bonds5

About 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium

2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium (PubChem CID 154708184) has the molecular formula C12H23NO3Y-2 and a molecular weight of 318.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium
PubChem CID154708184
Molecular FormulaC12H23NO3Y-2
Molecular Weight318.23 g/mol
Exact Mass318.07
IUPAC Name2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium
SMILESCN([C-]=O)CC(C)(C)C(=O)O.[CH2-]CC(C)C.[Y]
InChIInChI=1S/C7H12NO3.C5H11.Y/c1-7(2,6(10)11)4-8(3)5-9;1-4-5(2)3;/h4H2,1-3H3,(H,10,11);5H,1,4H2,2-3H3;/q2*-1;
InChIKeyRVMZRAPKXPKJRB-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium?
The IUPAC name of 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium (CID 154708184) is 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium?
The canonical SMILES for 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium is CN([C-]=O)CC(C)(C)C(=O)O.[CH2-]CC(C)C.[Y].
What is the InChIKey of 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium?
The InChIKey is RVMZRAPKXPKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO3.C5H11.Y/c1-7(2,6(10)11)4-8(3)5-9;1-4-5(2)3;/h4H2,1-3H3,(H,10,11);5H,1,4H2,2-3H3;/q2*-1;.
What are the key properties of 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium?
2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium has a molecular weight of 318.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(oxomethyl)amino]propanoic acid;2-methylbutane;yttrium is sourced from PubChem (CID 154708184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).