tetrasodium;2-aminopentanedioate;diacetate

C9H13NNa4O8 — CID 18668480

IUPACtetrasodium;2-aminopentanedioate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.2C2H4O2.4Na/c6-3(5(9)10)1-2-4(7)8;2*1-2(3)4;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3,(H,3,4);;;;/q;;;4*+1/p-4
InChIKeyOAQLGYBPVLTRSP-UHFFFAOYSA-J
MW355.16 g/mol
LogP-17.88
Rot. Bonds4

About tetrasodium;2-aminopentanedioate;diacetate

tetrasodium;2-aminopentanedioate;diacetate (PubChem CID 18668480) has the molecular formula C9H13NNa4O8 and a molecular weight of 355.16 g/mol. Its IUPAC name is tetrasodium;2-aminopentanedioate;diacetate.

Molecular Properties

Compound Nametetrasodium;2-aminopentanedioate;diacetate
PubChem CID18668480
Molecular FormulaC9H13NNa4O8
Molecular Weight355.16 g/mol
Exact Mass355.02
IUPAC Nametetrasodium;2-aminopentanedioate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.2C2H4O2.4Na/c6-3(5(9)10)1-2-4(7)8;2*1-2(3)4;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3,(H,3,4);;;;/q;;;4*+1/p-4
InChIKeyOAQLGYBPVLTRSP-UHFFFAOYSA-J
XLogP-17.88
TPSA186.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 5-17.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 160944724
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CID 10442757
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
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calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-aminopentanedioate;diacetate?
The IUPAC name of tetrasodium;2-aminopentanedioate;diacetate (CID 18668480) is tetrasodium;2-aminopentanedioate;diacetate.
What is the SMILES notation for tetrasodium;2-aminopentanedioate;diacetate?
The canonical SMILES for tetrasodium;2-aminopentanedioate;diacetate is CC(=O)[O-].CC(=O)[O-].NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-aminopentanedioate;diacetate?
The InChIKey is OAQLGYBPVLTRSP-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H9NO4.2C2H4O2.4Na/c6-3(5(9)10)1-2-4(7)8;2*1-2(3)4;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3,(H,3,4);;;;/q;;;4*+1/p-4.
What are the key properties of tetrasodium;2-aminopentanedioate;diacetate?
tetrasodium;2-aminopentanedioate;diacetate has a molecular weight of 355.16 g/mol, XLogP of -17.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-aminopentanedioate;diacetate is sourced from PubChem (CID 18668480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).