disodium;2,3-diaminobutanedioate

C4H6N2Na2O4 — CID 87704477

IUPACdisodium;2,3-diaminobutanedioate
SMILESNC(C(=O)[O-])C(N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H8N2O4.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2H,5-6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyCHOCKCDSMXSEIR-UHFFFAOYSA-L
MW192.08 g/mol
LogP-10.85
Rot. Bonds3

About disodium;2,3-diaminobutanedioate

disodium;2,3-diaminobutanedioate (PubChem CID 87704477) has the molecular formula C4H6N2Na2O4 and a molecular weight of 192.08 g/mol. Its IUPAC name is disodium;2,3-diaminobutanedioate.

Molecular Properties

Compound Namedisodium;2,3-diaminobutanedioate
PubChem CID87704477
Molecular FormulaC4H6N2Na2O4
Molecular Weight192.08 g/mol
Exact Mass192.01
IUPAC Namedisodium;2,3-diaminobutanedioate
SMILESNC(C(=O)[O-])C(N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H8N2O4.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2H,5-6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyCHOCKCDSMXSEIR-UHFFFAOYSA-L
XLogP-10.85
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 5-10.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methylbutanoate
CID 5460778
bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
dilithium;2-amino-2-oxidoacetate
CID 56968278
(2S)-2-aminopropanoate
CID 5460980
sodium 2-amino-3-hydroxypropanoate
CID 23676048
potassium 2-aminopropanoate
CID 21339510
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
azanium (2S,3S)-2-amino-3-methylpentanoate
CID 77105060
(2R)-2-amino-3-fluoropentanedioate
CID 166640231
disodium;2-amino-2-sulfinatoacetate
CID 21133292

Frequently Asked Questions

What is the IUPAC name of disodium;2,3-diaminobutanedioate?
The IUPAC name of disodium;2,3-diaminobutanedioate (CID 87704477) is disodium;2,3-diaminobutanedioate.
What is the SMILES notation for disodium;2,3-diaminobutanedioate?
The canonical SMILES for disodium;2,3-diaminobutanedioate is NC(C(=O)[O-])C(N)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2,3-diaminobutanedioate?
The InChIKey is CHOCKCDSMXSEIR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8N2O4.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2H,5-6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of disodium;2,3-diaminobutanedioate?
disodium;2,3-diaminobutanedioate has a molecular weight of 192.08 g/mol, XLogP of -10.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,3-diaminobutanedioate is sourced from PubChem (CID 87704477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).