(2S)-3-hydroxy-2-(methylazaniumyl)propanoate

C4H9NO3 — CID 7009639

IUPAC(2S)-3-hydroxy-2-(methylazaniumyl)propanoate
SMILESC[NH2+][C@@H](CO)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyPSFABYLDRXJYID-VKHMYHEASA-N
MW119.12 g/mol
LogP-3.71
Rot. Bonds3

About (2S)-3-hydroxy-2-(methylazaniumyl)propanoate

(2S)-3-hydroxy-2-(methylazaniumyl)propanoate (PubChem CID 7009639) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(methylazaniumyl)propanoate.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(methylazaniumyl)propanoate
PubChem CID7009639
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2S)-3-hydroxy-2-(methylazaniumyl)propanoate
SMILESC[NH2+][C@@H](CO)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyPSFABYLDRXJYID-VKHMYHEASA-N
XLogP-3.71
TPSA76.97 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 ≤ 5-3.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(methylazaniumyl)propanoate?
The IUPAC name of (2S)-3-hydroxy-2-(methylazaniumyl)propanoate (CID 7009639) is (2S)-3-hydroxy-2-(methylazaniumyl)propanoate.
What is the SMILES notation for (2S)-3-hydroxy-2-(methylazaniumyl)propanoate?
The canonical SMILES for (2S)-3-hydroxy-2-(methylazaniumyl)propanoate is C[NH2+][C@@H](CO)C(=O)[O-].
What is the InChIKey of (2S)-3-hydroxy-2-(methylazaniumyl)propanoate?
The InChIKey is PSFABYLDRXJYID-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(methylazaniumyl)propanoate?
(2S)-3-hydroxy-2-(methylazaniumyl)propanoate has a molecular weight of 119.12 g/mol, XLogP of -3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(methylazaniumyl)propanoate is sourced from PubChem (CID 7009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).