tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate

C8H7NNa4O8 — CID 71587123

IUPACtetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
SMILESO=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1
InChIKeyVWNRYDSLHLCGLG-NDNWHDOQSA-J
MW337.10 g/mol
LogP-18.94
Rot. Bonds8

About tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate

tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate (PubChem CID 71587123) has the molecular formula C8H7NNa4O8 and a molecular weight of 337.10 g/mol. Its IUPAC name is tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate.

Molecular Properties

Compound Nametetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
PubChem CID71587123
Molecular FormulaC8H7NNa4O8
Molecular Weight337.10 g/mol
Exact Mass336.98
IUPAC Nametetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate
SMILESO=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1
InChIKeyVWNRYDSLHLCGLG-NDNWHDOQSA-J
XLogP-18.94
TPSA163.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 5-18.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Tetrasodium Iminodisuccinate
CID 9927753
1-Aspartate-n,n-diacetate
CID 9878179
Bis(carboxymethyl)aminosuccinic acid
CID 9816359
CID 59985084
CID 59985084
Tetrasodium iminodisuccinate, S,S-
CID 71587136
disodium;(2S)-2-[bis(2-hydroxyethyl)amino]butanedioate
CID 12018565
2-[1,2-Dicarboxyethyl(methyl)amino]butanedioic acid
CID 18401334
2-(Trimethylazaniumyl)butanedioate
CID 21023393
2-[Bis(1-carboxyethyl)amino]butanedioic acid
CID 22280246
Tetrasodium;2-[1,2-dicarboxylatoethyl(hydroxy)amino]butanedioate
CID 23109841
(2S)-2-[bis(2-carboxyethyl)amino]butanedioic acid
CID 56996186
Sodium bis(1,2-dicarboxyethyl)azanide
CID 87584072

Frequently Asked Questions

What is the IUPAC name of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The IUPAC name of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate (CID 71587123) is tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate.
What is the SMILES notation for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The canonical SMILES for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate is O=C([O-])C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
The InChIKey is VWNRYDSLHLCGLG-NDNWHDOQSA-J. The full InChI is InChI=1S/C8H11NO8.4Na/c10-5(11)1-4(8(16)17)9(2-6(12)13)3-7(14)15;;;;/h4H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4/t4-;;;;/m0..../s1.
What are the key properties of tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate?
tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate has a molecular weight of 337.10 g/mol, XLogP of -18.94, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]butanedioate is sourced from PubChem (CID 71587123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).