dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate

C10H15Li2NO5 — CID 67645808

IUPACdilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate
SMILESO=C([O-])C(O)(CCN1CCCCC1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C10H17NO5.2Li/c12-8(13)10(16,9(14)15)4-7-11-5-2-1-3-6-11;;/h16H,1-7H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyPYIOVFTXDCOIIW-UHFFFAOYSA-L
MW243.11 g/mol
LogP-8.90
Rot. Bonds5

About dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate

dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate (PubChem CID 67645808) has the molecular formula C10H15Li2NO5 and a molecular weight of 243.11 g/mol. Its IUPAC name is dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate.

Molecular Properties

Compound Namedilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate
PubChem CID67645808
Molecular FormulaC10H15Li2NO5
Molecular Weight243.11 g/mol
Exact Mass243.13
IUPAC Namedilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate
SMILESO=C([O-])C(O)(CCN1CCCCC1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C10H17NO5.2Li/c12-8(13)10(16,9(14)15)4-7-11-5-2-1-3-6-11;;/h16H,1-7H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyPYIOVFTXDCOIIW-UHFFFAOYSA-L
XLogP-8.90
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 5-8.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate?
The IUPAC name of dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate (CID 67645808) is dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate.
What is the SMILES notation for dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate?
The canonical SMILES for dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate is O=C([O-])C(O)(CCN1CCCCC1)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate?
The InChIKey is PYIOVFTXDCOIIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H17NO5.2Li/c12-8(13)10(16,9(14)15)4-7-11-5-2-1-3-6-11;;/h16H,1-7H2,(H,12,13)(H,14,15);;/q;2*+1/p-2.
What are the key properties of dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate?
dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate has a molecular weight of 243.11 g/mol, XLogP of -8.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate is sourced from PubChem (CID 67645808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).