dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate

C15H15Li2NO7 — CID 71574656

IUPACdilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate
SMILESO=C(CCC(CC(=O)C(=O)[O-])C(=O)[O-])NOCc1ccccc1.[Li+].[Li+]
InChIInChI=1S/C15H17NO7.2Li/c17-12(15(21)22)8-11(14(19)20)6-7-13(18)16-23-9-10-4-2-1-3-5-10;;/h1-5,11H,6-9H2,(H,16,18)(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyGDXLSSXOYQVRQL-UHFFFAOYSA-L
MW335.17 g/mol
LogP-7.90
Rot. Bonds10

About dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate

dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate (PubChem CID 71574656) has the molecular formula C15H15Li2NO7 and a molecular weight of 335.17 g/mol. Its IUPAC name is dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate.

Molecular Properties

Compound Namedilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate
PubChem CID71574656
Molecular FormulaC15H15Li2NO7
Molecular Weight335.17 g/mol
Exact Mass335.12
IUPAC Namedilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate
SMILESO=C(CCC(CC(=O)C(=O)[O-])C(=O)[O-])NOCc1ccccc1.[Li+].[Li+]
InChIInChI=1S/C15H17NO7.2Li/c17-12(15(21)22)8-11(14(19)20)6-7-13(18)16-23-9-10-4-2-1-3-5-10;;/h1-5,11H,6-9H2,(H,16,18)(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyGDXLSSXOYQVRQL-UHFFFAOYSA-L
XLogP-7.90
TPSA135.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 5-7.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate?
The IUPAC name of dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate (CID 71574656) is dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate.
What is the SMILES notation for dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate?
The canonical SMILES for dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate is O=C(CCC(CC(=O)C(=O)[O-])C(=O)[O-])NOCc1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate?
The InChIKey is GDXLSSXOYQVRQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H17NO7.2Li/c17-12(15(21)22)8-11(14(19)20)6-7-13(18)16-23-9-10-4-2-1-3-5-10;;/h1-5,11H,6-9H2,(H,16,18)(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate?
dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate has a molecular weight of 335.17 g/mol, XLogP of -7.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-oxo-4-[3-oxo-3-(phenylmethoxyamino)propyl]pentanedioate is sourced from PubChem (CID 71574656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).