carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium

C12H22N2O4Y-2 — CID 59923041

IUPACcarbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium
SMILES[CH2-]C(=O)N(C)CC(=O)NC(C)C(C)C(=O)OC.[CH3-].[Y]
InChIInChI=1S/C11H19N2O4.CH3.Y/c1-7(11(16)17-5)8(2)12-10(15)6-13(4)9(3)14;;/h7-8H,3,6H2,1-2,4-5H3,(H,12,15);1H3;/q2*-1;
InChIKeyJGULHRDHGPNQEM-UHFFFAOYSA-N
MW347.22 g/mol
LogP0.04
Rot. Bonds5

About carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium

carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium (PubChem CID 59923041) has the molecular formula C12H22N2O4Y-2 and a molecular weight of 347.22 g/mol. Its IUPAC name is carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium
PubChem CID59923041
Molecular FormulaC12H22N2O4Y-2
Molecular Weight347.22 g/mol
Exact Mass347.06
IUPAC Namecarbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium
SMILES[CH2-]C(=O)N(C)CC(=O)NC(C)C(C)C(=O)OC.[CH3-].[Y]
InChIInChI=1S/C11H19N2O4.CH3.Y/c1-7(11(16)17-5)8(2)12-10(15)6-13(4)9(3)14;;/h7-8H,3,6H2,1-2,4-5H3,(H,12,15);1H3;/q2*-1;
InChIKeyJGULHRDHGPNQEM-UHFFFAOYSA-N
XLogP0.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium?
The IUPAC name of carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium (CID 59923041) is carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium.
What is the SMILES notation for carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium?
The canonical SMILES for carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium is [CH2-]C(=O)N(C)CC(=O)NC(C)C(C)C(=O)OC.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium?
The InChIKey is JGULHRDHGPNQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O4.CH3.Y/c1-7(11(16)17-5)8(2)12-10(15)6-13(4)9(3)14;;/h7-8H,3,6H2,1-2,4-5H3,(H,12,15);1H3;/q2*-1;.
What are the key properties of carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium?
carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium has a molecular weight of 347.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylbutanoate;yttrium is sourced from PubChem (CID 59923041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).