methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium

C11H14N3O7Y- — CID 58463166

IUPACmethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium
SMILESCOC(=O)CCn1c(=O)[n-]c(=O)n(CCC(=O)OC)c1=O.[Y]
InChIInChI=1S/C11H15N3O7.Y/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2;/h3-6H2,1-2H3,(H,12,17,18);/p-1
InChIKeyRGBCNRBPXHTCDM-UHFFFAOYSA-M
MW389.15 g/mol
LogP-2.55
Rot. Bonds6

About methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium

methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium (PubChem CID 58463166) has the molecular formula C11H14N3O7Y- and a molecular weight of 389.15 g/mol. Its IUPAC name is methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium.

Molecular Properties

Compound Namemethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium
PubChem CID58463166
Molecular FormulaC11H14N3O7Y-
Molecular Weight389.15 g/mol
Exact Mass388.99
IUPAC Namemethyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium
SMILESCOC(=O)CCn1c(=O)[n-]c(=O)n(CCC(=O)OC)c1=O.[Y]
InChIInChI=1S/C11H15N3O7.Y/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2;/h3-6H2,1-2H3,(H,12,17,18);/p-1
InChIKeyRGBCNRBPXHTCDM-UHFFFAOYSA-M
XLogP-2.55
TPSA127.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.15
LogP ≤ 5-2.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium?
The IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium (CID 58463166) is methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium.
What is the SMILES notation for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium?
The canonical SMILES for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium is COC(=O)CCn1c(=O)[n-]c(=O)n(CCC(=O)OC)c1=O.[Y].
What is the InChIKey of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium?
The InChIKey is RGBCNRBPXHTCDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O7.Y/c1-20-7(15)3-5-13-9(17)12-10(18)14(11(13)19)6-4-8(16)21-2;/h3-6H2,1-2H3,(H,12,17,18);/p-1.
What are the key properties of methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium?
methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium has a molecular weight of 389.15 g/mol, XLogP of -2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-methoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diaza-5-azanidacyclohex-1-yl]propanoate;yttrium is sourced from PubChem (CID 58463166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).