(2S)-2-(oxetan-3-yloxy)propanoic acid

C6H10O4 — CID 103338261

IUPAC(2S)-2-(oxetan-3-yloxy)propanoic acid
SMILESC[C@H](OC1COC1)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(7)8)10-5-2-9-3-5/h4-5H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyLCPFJWSBVUWLDO-BYPYZUCNSA-N
MW146.14 g/mol
LogP-0.13
Rot. Bonds3

About (2S)-2-(oxetan-3-yloxy)propanoic acid

(2S)-2-(oxetan-3-yloxy)propanoic acid (PubChem CID 103338261) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S)-2-(oxetan-3-yloxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(oxetan-3-yloxy)propanoic acid
PubChem CID103338261
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S)-2-(oxetan-3-yloxy)propanoic acid
SMILESC[C@H](OC1COC1)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(7)8)10-5-2-9-3-5/h4-5H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyLCPFJWSBVUWLDO-BYPYZUCNSA-N
XLogP-0.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxetan-3-yloxy)propanoic acid?
The IUPAC name of (2S)-2-(oxetan-3-yloxy)propanoic acid (CID 103338261) is (2S)-2-(oxetan-3-yloxy)propanoic acid.
What is the SMILES notation for (2S)-2-(oxetan-3-yloxy)propanoic acid?
The canonical SMILES for (2S)-2-(oxetan-3-yloxy)propanoic acid is C[C@H](OC1COC1)C(=O)O.
What is the InChIKey of (2S)-2-(oxetan-3-yloxy)propanoic acid?
The InChIKey is LCPFJWSBVUWLDO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(6(7)8)10-5-2-9-3-5/h4-5H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(oxetan-3-yloxy)propanoic acid?
(2S)-2-(oxetan-3-yloxy)propanoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxetan-3-yloxy)propanoic acid is sourced from PubChem (CID 103338261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).