(2S,3S)-2-azaniumyl-3-hydroxybutanedioate

C4H6NO5- — CID 25201926

IUPAC(2S,3S)-2-azaniumyl-3-hydroxybutanedioate
SMILES[NH3+][C@H](C(=O)[O-])[C@H](O)C(=O)[O-]
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/p-1/t1-,2-/m0/s1
InChIKeyYYLQUHNPNCGKJQ-LWMBPPNESA-M
MW148.09 g/mol
LogP-5.54
Rot. Bonds3

About (2S,3S)-2-azaniumyl-3-hydroxybutanedioate

(2S,3S)-2-azaniumyl-3-hydroxybutanedioate (PubChem CID 25201926) has the molecular formula C4H6NO5- and a molecular weight of 148.09 g/mol. Its IUPAC name is (2S,3S)-2-azaniumyl-3-hydroxybutanedioate.

Molecular Properties

Compound Name(2S,3S)-2-azaniumyl-3-hydroxybutanedioate
PubChem CID25201926
Molecular FormulaC4H6NO5-
Molecular Weight148.09 g/mol
Exact Mass148.03
IUPAC Name(2S,3S)-2-azaniumyl-3-hydroxybutanedioate
SMILES[NH3+][C@H](C(=O)[O-])[C@H](O)C(=O)[O-]
InChIInChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/p-1/t1-,2-/m0/s1
InChIKeyYYLQUHNPNCGKJQ-LWMBPPNESA-M
XLogP-5.54
TPSA128.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-5.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-azaniumyl-3-hydroxybutanedioate?
The IUPAC name of (2S,3S)-2-azaniumyl-3-hydroxybutanedioate (CID 25201926) is (2S,3S)-2-azaniumyl-3-hydroxybutanedioate.
What is the SMILES notation for (2S,3S)-2-azaniumyl-3-hydroxybutanedioate?
The canonical SMILES for (2S,3S)-2-azaniumyl-3-hydroxybutanedioate is [NH3+][C@H](C(=O)[O-])[C@H](O)C(=O)[O-].
What is the InChIKey of (2S,3S)-2-azaniumyl-3-hydroxybutanedioate?
The InChIKey is YYLQUHNPNCGKJQ-LWMBPPNESA-M. The full InChI is InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/p-1/t1-,2-/m0/s1.
What are the key properties of (2S,3S)-2-azaniumyl-3-hydroxybutanedioate?
(2S,3S)-2-azaniumyl-3-hydroxybutanedioate has a molecular weight of 148.09 g/mol, XLogP of -5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-azaniumyl-3-hydroxybutanedioate is sourced from PubChem (CID 25201926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).