2-methylbutanedioic acid;nitric acid;yttrium

C5H9NO7Y — CID 58165002

IUPAC2-methylbutanedioic acid;nitric acid;yttrium
SMILESCC(CC(=O)O)C(=O)O.O=[N+]([O-])O.[Y]
InChIInChI=1S/C5H8O4.HNO3.Y/c1-3(5(8)9)2-4(6)7;2-1(3)4;/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4);
InChIKeyOXGCTQCSBCTOIK-UHFFFAOYSA-N
MW284.03 g/mol
LogP-0.17
Rot. Bonds3

About 2-methylbutanedioic acid;nitric acid;yttrium

2-methylbutanedioic acid;nitric acid;yttrium (PubChem CID 58165002) has the molecular formula C5H9NO7Y and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-methylbutanedioic acid;nitric acid;yttrium.

Molecular Properties

Compound Name2-methylbutanedioic acid;nitric acid;yttrium
PubChem CID58165002
Molecular FormulaC5H9NO7Y
Molecular Weight284.03 g/mol
Exact Mass283.94
IUPAC Name2-methylbutanedioic acid;nitric acid;yttrium
SMILESCC(CC(=O)O)C(=O)O.O=[N+]([O-])O.[Y]
InChIInChI=1S/C5H8O4.HNO3.Y/c1-3(5(8)9)2-4(6)7;2-1(3)4;/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4);
InChIKeyOXGCTQCSBCTOIK-UHFFFAOYSA-N
XLogP-0.17
TPSA137.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methylbutanedioic acid;nitric acid;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

2-methyl-5-oxohexanoic acid;2-methyl-4-oxopentanoic acid;bis(nitric acid);bis(yttrium);dihydrate
CID 160530940
2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
2-(2-methyl-3-nitrobutyl)butanedioic acid
CID 88894298
5-methyl-2-nitro-3-oxohexanoic acid
CID 130366368
3-methyl-4,4,4-trinitrobutanoic acid
CID 15312446
2-methyl-5-nitropentanoic acid
CID 150498188
3-methyl-5-nitropentanoic acid
CID 21425108
hexane-1,2,5-tricarboxylic acid
CID 14251275
(2R)-2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
CID 825773
methanol;nitric acid;yttrium
CID 20642582

Frequently Asked Questions

What is the IUPAC name of 2-methylbutanedioic acid;nitric acid;yttrium?
The IUPAC name of 2-methylbutanedioic acid;nitric acid;yttrium (CID 58165002) is 2-methylbutanedioic acid;nitric acid;yttrium.
What is the SMILES notation for 2-methylbutanedioic acid;nitric acid;yttrium?
The canonical SMILES for 2-methylbutanedioic acid;nitric acid;yttrium is CC(CC(=O)O)C(=O)O.O=[N+]([O-])O.[Y].
What is the InChIKey of 2-methylbutanedioic acid;nitric acid;yttrium?
The InChIKey is OXGCTQCSBCTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.HNO3.Y/c1-3(5(8)9)2-4(6)7;2-1(3)4;/h3H,2H2,1H3,(H,6,7)(H,8,9);(H,2,3,4);.
What are the key properties of 2-methylbutanedioic acid;nitric acid;yttrium?
2-methylbutanedioic acid;nitric acid;yttrium has a molecular weight of 284.03 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanedioic acid;nitric acid;yttrium is sourced from PubChem (CID 58165002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).