(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium

C8H14NO3Y- — CID 149241062

IUPAC(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium
SMILESC[N-]C(CCC(C)=O)C(=O)OC.[Y]
InChIInChI=1S/C8H14NO3.Y/c1-6(10)4-5-7(9-2)8(11)12-3;/h7H,4-5H2,1-3H3;/q-1;
InChIKeyVRNLIJMYLLLYRA-UHFFFAOYSA-N
MW261.11 g/mol
LogP0.90
Rot. Bonds5

About (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium

(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium (PubChem CID 149241062) has the molecular formula C8H14NO3Y- and a molecular weight of 261.11 g/mol. Its IUPAC name is (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium.

Molecular Properties

Compound Name(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium
PubChem CID149241062
Molecular FormulaC8H14NO3Y-
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium
SMILESC[N-]C(CCC(C)=O)C(=O)OC.[Y]
InChIInChI=1S/C8H14NO3.Y/c1-6(10)4-5-7(9-2)8(11)12-3;/h7H,4-5H2,1-3H3;/q-1;
InChIKeyVRNLIJMYLLLYRA-UHFFFAOYSA-N
XLogP0.90
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-nitro-5-oxohexanoate
CID 124526416
methyl 2-(2,2-dimethoxypropanoyl)-5-oxohexanoate
CID 12846924
dimethyl 2-(4-oxopentanoylamino)pentanedioate
CID 54470181
2-(butanoylamino)-5-[[5-[[1-carboxy-4-[[1-carboxy-4-[[5-[[1-carboxy-4-[[1-carboxy-4-[(1-methoxy-1,5-dioxohexan-2-yl)amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 177284966
N-(1-amino-4-oxopentoxy)acetamide
CID 87260245
5-hydrazinylhexan-2-one
CID 90310478
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
dimethyl (2S)-2-(5-oxohexanoylamino)pentanedioate
CID 59384171
(3R)-3-aminoheptane-2,6-dione
CID 154592232
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium?
The IUPAC name of (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium (CID 149241062) is (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium.
What is the SMILES notation for (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium?
The canonical SMILES for (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium is C[N-]C(CCC(C)=O)C(=O)OC.[Y].
What is the InChIKey of (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium?
The InChIKey is VRNLIJMYLLLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3.Y/c1-6(10)4-5-7(9-2)8(11)12-3;/h7H,4-5H2,1-3H3;/q-1;.
What are the key properties of (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium?
(1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium has a molecular weight of 261.11 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1,5-dioxohexan-2-yl)-methylazanide;yttrium is sourced from PubChem (CID 149241062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).