tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid

C10H16N2Na4O8+4 — CID 90684479

IUPACtetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
SMILESO=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.4Na/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16;;;;/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/t5-,6-;;;;/m0..../s1
InChIKeySATXJTOPUOICKH-UKVIHGRNSA-N
MW384.20 g/mol
LogP-13.96
Rot. Bonds11

About tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid

tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid (PubChem CID 90684479) has the molecular formula C10H16N2Na4O8+4 and a molecular weight of 384.20 g/mol. Its IUPAC name is tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid.

Molecular Properties

Compound Nametetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
PubChem CID90684479
Molecular FormulaC10H16N2Na4O8+4
Molecular Weight384.20 g/mol
Exact Mass384.05
IUPAC Nametetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
SMILESO=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C10H16N2O8.4Na/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16;;;;/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/t5-,6-;;;;/m0..../s1
InChIKeySATXJTOPUOICKH-UKVIHGRNSA-N
XLogP-13.96
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.20
LogP ≤ 5-13.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethylenediamine-N,N'-disuccinic acid
CID 497266
Tetrasodium Iminodisuccinate
CID 9927753
Trisodium Ethylenediamine Disuccinate
CID 73555305
Glycyl-L-aspartic acid
CID 97363
Aspergillomarasmine A
CID 197028
(S)-2-(((S)-2-(((S)-2-Amino-2-carboxyethyl)amino)-2-carboxyethyl)amino)succinic acid
CID 129078576
Toxin C
CID 10267199
Glycyl-dl-aspartic acid
CID 273261
Aspartic acid, N-(1,2-dicarboxyethyl)-, ammonium salt (1:3)
CID 44147333
(2S)-2-[[(2S)-2-[[(2R)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
CID 129095380
Edds
CID 123395
L-Aspartic acid, N,N'-1,2-ethanediylbis-, magnesium salt (1:2)
CID 91977554

Frequently Asked Questions

What is the IUPAC name of tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid?
The IUPAC name of tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid (CID 90684479) is tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid.
What is the SMILES notation for tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid?
The canonical SMILES for tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid is O=C(O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid?
The InChIKey is SATXJTOPUOICKH-UKVIHGRNSA-N. The full InChI is InChI=1S/C10H16N2O8.4Na/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16;;;;/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/t5-,6-;;;;/m0..../s1.
What are the key properties of tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid?
tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid has a molecular weight of 384.20 g/mol, XLogP of -13.96, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid is sourced from PubChem (CID 90684479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).