(2R,3S)-2-azaniumyl-3-hydroxybutanoate

C4H9NO3 — CID 6995277

IUPAC(2R,3S)-2-azaniumyl-3-hydroxybutanoate
SMILESC[C@H](O)[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
InChIKeyAYFVYJQAPQTCCC-STHAYSLISA-N
MW119.12 g/mol
LogP-3.27
Rot. Bonds2

About (2R,3S)-2-azaniumyl-3-hydroxybutanoate

(2R,3S)-2-azaniumyl-3-hydroxybutanoate (PubChem CID 6995277) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2R,3S)-2-azaniumyl-3-hydroxybutanoate.

Molecular Properties

Compound Name(2R,3S)-2-azaniumyl-3-hydroxybutanoate
PubChem CID6995277
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2R,3S)-2-azaniumyl-3-hydroxybutanoate
SMILESC[C@H](O)[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
InChIKeyAYFVYJQAPQTCCC-STHAYSLISA-N
XLogP-3.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-azaniumyl-3-hydroxybutanoate?
The IUPAC name of (2R,3S)-2-azaniumyl-3-hydroxybutanoate (CID 6995277) is (2R,3S)-2-azaniumyl-3-hydroxybutanoate.
What is the SMILES notation for (2R,3S)-2-azaniumyl-3-hydroxybutanoate?
The canonical SMILES for (2R,3S)-2-azaniumyl-3-hydroxybutanoate is C[C@H](O)[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R,3S)-2-azaniumyl-3-hydroxybutanoate?
The InChIKey is AYFVYJQAPQTCCC-STHAYSLISA-N. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1.
What are the key properties of (2R,3S)-2-azaniumyl-3-hydroxybutanoate?
(2R,3S)-2-azaniumyl-3-hydroxybutanoate has a molecular weight of 119.12 g/mol, XLogP of -3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-azaniumyl-3-hydroxybutanoate is sourced from PubChem (CID 6995277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).