tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate

C8H7NNa4O8 — CID 59985084

IUPACtetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate
SMILESO=C([O-])CC(NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4
InChIKeyGYBINGQBXROMRS-UHFFFAOYSA-J
MW337.10 g/mol
LogP-18.89
Rot. Bonds8

About tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate

tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate (PubChem CID 59985084) has the molecular formula C8H7NNa4O8 and a molecular weight of 337.10 g/mol. Its IUPAC name is tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate.

Molecular Properties

Compound Nametetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate
PubChem CID59985084
Molecular FormulaC8H7NNa4O8
Molecular Weight337.10 g/mol
Exact Mass336.98
IUPAC Nametetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate
SMILESO=C([O-])CC(NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4
InChIKeyGYBINGQBXROMRS-UHFFFAOYSA-J
XLogP-18.89
TPSA172.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 5-18.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Tetrasodium Iminodisuccinate
CID 9927753
Trisodium Ethylenediamine Disuccinate
CID 73555305
L-Aspartic acid, N,N'-1,2-ethanediylbis-, sodium salt (1:4)
CID 90684479
L-Aspartic acid, N,N'-1,2-ethanediylbis-, potassium salt (1:4)
CID 101860187
Iminodisuccinic acid
CID 131409
(s,s)-ethylenediamine-n,n'-disuccinic acid trisodium salt
CID 16218766
(R,R)-Iminodisuccinate
CID 56932184
(R,S)-Iminodisuccinate
CID 56932186
(S,S)-Iminodisuccinate
CID 56932188
N(3)-1,2-dicarboxyethyl-DABA
CID 171037407
Tetrasodium dicarboxymethyl aspartate
CID 71587123
Natrium acetylaspartate
CID 15234609

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate?
The IUPAC name of tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate (CID 59985084) is tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate.
What is the SMILES notation for tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate?
The canonical SMILES for tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate is O=C([O-])CC(NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate?
The InChIKey is GYBINGQBXROMRS-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate?
tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate has a molecular weight of 337.10 g/mol, XLogP of -18.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate is sourced from PubChem (CID 59985084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).