[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)

C6H10N2O3Y2-2 — CID 58005072

IUPAC[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)
SMILES[NH-]CC(C[NH-])C(=O)CC(=O)O.[Y].[Y]
InChIInChI=1S/C6H10N2O3.2Y/c7-2-4(3-8)5(9)1-6(10)11;;/h4,7-8H,1-3H2,(H,10,11);;/q-2;;
InChIKeyDKDMSGOAKBMJQS-UHFFFAOYSA-N
MW335.97 g/mol
LogP0.75
Rot. Bonds5

About [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)

[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium) (PubChem CID 58005072) has the molecular formula C6H10N2O3Y2-2 and a molecular weight of 335.97 g/mol. Its IUPAC name is [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium).

Molecular Properties

Compound Name[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)
PubChem CID58005072
Molecular FormulaC6H10N2O3Y2-2
Molecular Weight335.97 g/mol
Exact Mass335.88
IUPAC Name[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)
SMILES[NH-]CC(C[NH-])C(=O)CC(=O)O.[Y].[Y]
InChIInChI=1S/C6H10N2O3.2Y/c7-2-4(3-8)5(9)1-6(10)11;;/h4,7-8H,1-3H2,(H,10,11);;/q-2;;
InChIKeyDKDMSGOAKBMJQS-UHFFFAOYSA-N
XLogP0.75
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.97
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

calcium;propanedioic acid;dichloride
CID 172710665
magnesium carboxymethylazanide
CID 139769517
propanedioic acid;hydrate;dihydrochloride
CID 173455263
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
CID 174465837
4-amino-3-oxopentanoic acid
CID 134247354
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401
propanedioic acid;terbium
CID 87785742
(4R)-4-amino-3-oxo-5-sulfanylpentanoic acid
CID 173235245
4-methyl-3,5-dioxopentanoic acid
CID 57040126
(4R)-4-benzyl-3-oxohexanoic acid
CID 158205731
methanol;propanedioic acid
CID 87156965

Frequently Asked Questions

What is the IUPAC name of [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)?
The IUPAC name of [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium) (CID 58005072) is [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium).
What is the SMILES notation for [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)?
The canonical SMILES for [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium) is [NH-]CC(C[NH-])C(=O)CC(=O)O.[Y].[Y].
What is the InChIKey of [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)?
The InChIKey is DKDMSGOAKBMJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3.2Y/c7-2-4(3-8)5(9)1-6(10)11;;/h4,7-8H,1-3H2,(H,10,11);;/q-2;;.
What are the key properties of [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium)?
[2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium) has a molecular weight of 335.97 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azanidylmethyl)-4-carboxy-3-oxobutyl]azanide;bis(yttrium) is sourced from PubChem (CID 58005072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).