(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate

C4H9NO3 — CID 7000049

IUPAC(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate
SMILESC[C@]([NH3+])(CO)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyCDUUKBXTEOFITR-BYPYZUCNSA-N
MW119.12 g/mol
LogP-3.27
Rot. Bonds2

About (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate

(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate (PubChem CID 7000049) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate
PubChem CID7000049
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate
SMILESC[C@]([NH3+])(CO)C(=O)[O-]
InChIInChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyCDUUKBXTEOFITR-BYPYZUCNSA-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 (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate?
The IUPAC name of (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate (CID 7000049) is (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate?
The canonical SMILES for (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate is C[C@]([NH3+])(CO)C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate?
The InChIKey is CDUUKBXTEOFITR-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate?
(2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate 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 (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 7000049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).