L-Aspartic acid, sodium salt (1:2)

C4H5NNa2O4 — CID 21806

IUPACdisodium;(2S)-2-aminobutanedioate
SMILESC([C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyXMXOIHIZTOVVFB-JIZZDEOASA-L
MW177.07 g/mol
LogP—
Rot. Bonds1

About L-Aspartic acid, sodium salt (1:2)

L-Aspartic acid, sodium salt (1:2) (PubChem CID 21806) has the molecular formula C4H5NNa2O4 and a molecular weight of 177.07 g/mol. Its IUPAC name is disodium;(2S)-2-aminobutanedioate.

Molecular Properties

Compound NameL-Aspartic acid, sodium salt (1:2)
PubChem CID21806
Molecular FormulaC4H5NNa2O4
Molecular Weight177.07 g/mol
Exact Mass177.00
IUPAC Namedisodium;(2S)-2-aminobutanedioate
SMILESC([C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyXMXOIHIZTOVVFB-JIZZDEOASA-L
XLogP—
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
Monosodium Aspartate
CID 23672344
L-Aspartic acid, monopotassium salt
CID 23672742
Potassium L-aspartate
CID 23676147
Potassium hydrogen aspartate
CID 76958213
l-aspartic acid, sodium salt
CID 5460541
CID 44367445
CID 44367445

Frequently Asked Questions

What is the IUPAC name of L-Aspartic acid, sodium salt (1:2)?
The IUPAC name of L-Aspartic acid, sodium salt (1:2) (CID 21806) is disodium;(2S)-2-aminobutanedioate.
What is the SMILES notation for L-Aspartic acid, sodium salt (1:2)?
The canonical SMILES for L-Aspartic acid, sodium salt (1:2) is C([C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of L-Aspartic acid, sodium salt (1:2)?
The InChIKey is XMXOIHIZTOVVFB-JIZZDEOASA-L. The full InChI is InChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1.
What are the key properties of L-Aspartic acid, sodium salt (1:2)?
L-Aspartic acid, sodium salt (1:2) has a molecular weight of 177.07 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for L-Aspartic acid, sodium salt (1:2) is sourced from PubChem (CID 21806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).