(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate

C4H7NO4 — CID 139148725

IUPAC(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
SMILES[NH3+][C@H](CC(=O)O)C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKeyCKLJMWTZIZZHCS-UWTATZPHSA-N
MW133.10 g/mol
LogP-3.18
Rot. Bonds3

About (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate

(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate (PubChem CID 139148725) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
PubChem CID139148725
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
SMILES[NH3+][C@H](CC(=O)O)C(=O)[O-]
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKeyCKLJMWTZIZZHCS-UWTATZPHSA-N
XLogP-3.18
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate?
The IUPAC name of (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate (CID 139148725) is (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate?
The canonical SMILES for (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate is [NH3+][C@H](CC(=O)O)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate?
The InChIKey is CKLJMWTZIZZHCS-UWTATZPHSA-N. The full InChI is InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate?
(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate has a molecular weight of 133.10 g/mol, XLogP of -3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate is sourced from PubChem (CID 139148725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).