sodium bis(1,2-dicarboxyethyl)azanide

C8H10NNaO8 — CID 87584072

IUPACsodium bis(1,2-dicarboxyethyl)azanide
SMILESO=C(O)CC([N-]C(CC(=O)O)C(=O)O)C(=O)O.[Na+]
InChIInChI=1S/C8H10NO8.Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;/h3-4H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);/q-1;+1
InChIKeyANLRKZKSNMHZPM-UHFFFAOYSA-N
MW271.16 g/mol
LogP-3.78
Rot. Bonds8

About sodium bis(1,2-dicarboxyethyl)azanide

sodium bis(1,2-dicarboxyethyl)azanide (PubChem CID 87584072) has the molecular formula C8H10NNaO8 and a molecular weight of 271.16 g/mol. Its IUPAC name is sodium bis(1,2-dicarboxyethyl)azanide.

Molecular Properties

Compound Namesodium bis(1,2-dicarboxyethyl)azanide
PubChem CID87584072
Molecular FormulaC8H10NNaO8
Molecular Weight271.16 g/mol
Exact Mass271.03
IUPAC Namesodium bis(1,2-dicarboxyethyl)azanide
SMILESO=C(O)CC([N-]C(CC(=O)O)C(=O)O)C(=O)O.[Na+]
InChIInChI=1S/C8H10NO8.Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;/h3-4H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);/q-1;+1
InChIKeyANLRKZKSNMHZPM-UHFFFAOYSA-N
XLogP-3.78
TPSA163.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 5-3.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl aspartic acid
CID 12774059
Aspartic acid, N,N-dimethyl-
CID 331530
2-(Pyrrolidin-1-yl)butanedioic acid
CID 201380
Iminodisuccinic acid
CID 131409
1-Aspartate-n,n-diacetate
CID 9878179
Bis(carboxymethyl)aminosuccinic acid
CID 9816359
Tetrasodium dicarboxymethyl aspartate
CID 71587123
Hydroxyiminodisuccinic acid
CID 18431362
1,2-Dicarboxyethyl(trimethyl)azanium
CID 21023394
Carboxymethyl betaine
CID 21881367
(2S)-2-(ditert-butylamino)butanedioic acid
CID 22818492
(2S)-2-(diethylamino)butanedioic acid
CID 54484291

Frequently Asked Questions

What is the IUPAC name of sodium bis(1,2-dicarboxyethyl)azanide?
The IUPAC name of sodium bis(1,2-dicarboxyethyl)azanide (CID 87584072) is sodium bis(1,2-dicarboxyethyl)azanide.
What is the SMILES notation for sodium bis(1,2-dicarboxyethyl)azanide?
The canonical SMILES for sodium bis(1,2-dicarboxyethyl)azanide is O=C(O)CC([N-]C(CC(=O)O)C(=O)O)C(=O)O.[Na+].
What is the InChIKey of sodium bis(1,2-dicarboxyethyl)azanide?
The InChIKey is ANLRKZKSNMHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO8.Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;/h3-4H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);/q-1;+1.
What are the key properties of sodium bis(1,2-dicarboxyethyl)azanide?
sodium bis(1,2-dicarboxyethyl)azanide has a molecular weight of 271.16 g/mol, XLogP of -3.78, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(1,2-dicarboxyethyl)azanide is sourced from PubChem (CID 87584072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).