carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium

C9H17NO3Y-2 — CID 59877356

IUPACcarbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium
SMILESC[CH-]NC(=O)C(C)CC(=O)OC.[CH3-].[Y]
InChIInChI=1S/C8H14NO3.CH3.Y/c1-4-9-8(11)6(2)5-7(10)12-3;;/h4,6H,5H2,1-3H3,(H,9,11);1H3;/q2*-1;
InChIKeyDBQPWFCSMMKEJG-UHFFFAOYSA-N
MW276.15 g/mol
LogP0.93
Rot. Bonds4

About carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium

carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium (PubChem CID 59877356) has the molecular formula C9H17NO3Y-2 and a molecular weight of 276.15 g/mol. Its IUPAC name is carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium
PubChem CID59877356
Molecular FormulaC9H17NO3Y-2
Molecular Weight276.15 g/mol
Exact Mass276.03
IUPAC Namecarbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium
SMILESC[CH-]NC(=O)C(C)CC(=O)OC.[CH3-].[Y]
InChIInChI=1S/C8H14NO3.CH3.Y/c1-4-9-8(11)6(2)5-7(10)12-3;;/h4,6H,5H2,1-3H3,(H,9,11);1H3;/q2*-1;
InChIKeyDBQPWFCSMMKEJG-UHFFFAOYSA-N
XLogP0.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium?
The IUPAC name of carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium (CID 59877356) is carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium.
What is the SMILES notation for carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium?
The canonical SMILES for carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium is C[CH-]NC(=O)C(C)CC(=O)OC.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium?
The InChIKey is DBQPWFCSMMKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3.CH3.Y/c1-4-9-8(11)6(2)5-7(10)12-3;;/h4,6H,5H2,1-3H3,(H,9,11);1H3;/q2*-1;.
What are the key properties of carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium?
carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium has a molecular weight of 276.15 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium is sourced from PubChem (CID 59877356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).