tetrasodium;2-aminopentanedioate;oxalate

C7H7NNa4O8 — CID 175012253

IUPACtetrasodium;2-aminopentanedioate;oxalate
SMILESNC(CCC(=O)[O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C2H2O4.4Na/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);(H,3,4)(H,5,6);;;;/q;;4*+1/p-4
InChIKeyMQJSAMHWABUSNQ-UHFFFAOYSA-J
MW325.09 g/mol
LogP-18.90
Rot. Bonds4

About tetrasodium;2-aminopentanedioate;oxalate

tetrasodium;2-aminopentanedioate;oxalate (PubChem CID 175012253) has the molecular formula C7H7NNa4O8 and a molecular weight of 325.09 g/mol. Its IUPAC name is tetrasodium;2-aminopentanedioate;oxalate.

Molecular Properties

Compound Nametetrasodium;2-aminopentanedioate;oxalate
PubChem CID175012253
Molecular FormulaC7H7NNa4O8
Molecular Weight325.09 g/mol
Exact Mass324.98
IUPAC Nametetrasodium;2-aminopentanedioate;oxalate
SMILESNC(CCC(=O)[O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C2H2O4.4Na/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);(H,3,4)(H,5,6);;;;/q;;4*+1/p-4
InChIKeyMQJSAMHWABUSNQ-UHFFFAOYSA-J
XLogP-18.90
TPSA186.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.09
LogP ≤ 5-18.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
potassium;sodium;2-aminopentanedioate;phosphoric acid
CID 175101729
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-aminopentanedioate;oxalate?
The IUPAC name of tetrasodium;2-aminopentanedioate;oxalate (CID 175012253) is tetrasodium;2-aminopentanedioate;oxalate.
What is the SMILES notation for tetrasodium;2-aminopentanedioate;oxalate?
The canonical SMILES for tetrasodium;2-aminopentanedioate;oxalate is NC(CCC(=O)[O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-aminopentanedioate;oxalate?
The InChIKey is MQJSAMHWABUSNQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H9NO4.C2H2O4.4Na/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);(H,3,4)(H,5,6);;;;/q;;4*+1/p-4.
What are the key properties of tetrasodium;2-aminopentanedioate;oxalate?
tetrasodium;2-aminopentanedioate;oxalate has a molecular weight of 325.09 g/mol, XLogP of -18.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-aminopentanedioate;oxalate is sourced from PubChem (CID 175012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).