(2S)-4-azaniumyl-2-hydroxybutanoate

C4H9NO3 — CID 6999098

IUPAC(2S)-4-azaniumyl-2-hydroxybutanoate
SMILES[NH3+]CC[C@H](O)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKeyIVUOMFWNDGNLBJ-VKHMYHEASA-N
MW119.12 g/mol
LogP-3.27
Rot. Bonds3

About (2S)-4-azaniumyl-2-hydroxybutanoate

(2S)-4-azaniumyl-2-hydroxybutanoate (PubChem CID 6999098) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S)-4-azaniumyl-2-hydroxybutanoate.

Molecular Properties

Compound Name(2S)-4-azaniumyl-2-hydroxybutanoate
PubChem CID6999098
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2S)-4-azaniumyl-2-hydroxybutanoate
SMILES[NH3+]CC[C@H](O)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKeyIVUOMFWNDGNLBJ-VKHMYHEASA-N
XLogP-3.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 (2S)-4-azaniumyl-2-hydroxybutanoate?
The IUPAC name of (2S)-4-azaniumyl-2-hydroxybutanoate (CID 6999098) is (2S)-4-azaniumyl-2-hydroxybutanoate.
What is the SMILES notation for (2S)-4-azaniumyl-2-hydroxybutanoate?
The canonical SMILES for (2S)-4-azaniumyl-2-hydroxybutanoate is [NH3+]CC[C@H](O)C(=O)[O-].
What is the InChIKey of (2S)-4-azaniumyl-2-hydroxybutanoate?
The InChIKey is IVUOMFWNDGNLBJ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-4-azaniumyl-2-hydroxybutanoate?
(2S)-4-azaniumyl-2-hydroxybutanoate has a molecular weight of 119.12 g/mol, XLogP of -3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-azaniumyl-2-hydroxybutanoate is sourced from PubChem (CID 6999098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).