sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate

C4H6NNaO4 — CID 23672344

IUPACsodium (2S)-2-amino-4-hydroxy-4-oxobutanoate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKeyWTWSHHITWMVLBX-DKWTVANSSA-M
MW155.08 g/mol
LogP-5.46
Rot. Bonds3

About sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate

sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate (PubChem CID 23672344) has the molecular formula C4H6NNaO4 and a molecular weight of 155.08 g/mol. Its IUPAC name is sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Namesodium (2S)-2-amino-4-hydroxy-4-oxobutanoate
PubChem CID23672344
Molecular FormulaC4H6NNaO4
Molecular Weight155.08 g/mol
Exact Mass155.02
IUPAC Namesodium (2S)-2-amino-4-hydroxy-4-oxobutanoate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKeyWTWSHHITWMVLBX-DKWTVANSSA-M
XLogP-5.46
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.08
LogP ≤ 5-5.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Aspartic Acid
CID 5960
D-Aspartic Acid
CID 83887
(+-)-Aspartic Acid
CID 424
Magnesium Aspartate
CID 56841975
L-aspartate(1-)
CID 5460294
Calcium Aspartate
CID 30465
L-Aspartic acid, potassium salt (1:2)
CID 6454950
Zinc Aspartate
CID 56841018
L-Aspartic acid, sodium salt (1:2)
CID 21806
L-Aspartic acid, monopotassium salt
CID 23672742
Potassium L-aspartate
CID 23676147
Potassium hydrogen aspartate
CID 76958213

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate?
The IUPAC name of sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate (CID 23672344) is sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate?
The canonical SMILES for sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate is N[C@@H](CC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate?
The InChIKey is WTWSHHITWMVLBX-DKWTVANSSA-M. The full InChI is InChI=1S/C4H7NO4.Na/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1.
What are the key properties of sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate?
sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate has a molecular weight of 155.08 g/mol, XLogP of -5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-amino-4-hydroxy-4-oxobutanoate is sourced from PubChem (CID 23672344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).