2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid

C7H12O5 — CID 102605319

IUPAC2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
SMILESCC(O)(COC1COC1)C(=O)O
InChIInChI=1S/C7H12O5/c1-7(10,6(8)9)4-12-5-2-11-3-5/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyNIKDZXCKHJRGTR-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.76
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid

2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid (PubChem CID 102605319) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
PubChem CID102605319
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
SMILESCC(O)(COC1COC1)C(=O)O
InChIInChI=1S/C7H12O5/c1-7(10,6(8)9)4-12-5-2-11-3-5/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyNIKDZXCKHJRGTR-UHFFFAOYSA-N
XLogP-0.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
CID 102607610
2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 102607418
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
2-amino-3-(oxetan-3-yloxy)propanoic acid
CID 102605330
oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
CID 102606699
2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
CID 102608421
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
3-(3,3-dimethylbutoxy)-2-hydroxy-2-methylpropanoic acid
CID 66234015

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid (CID 102605319) is 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid is CC(O)(COC1COC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid?
The InChIKey is NIKDZXCKHJRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-7(10,6(8)9)4-12-5-2-11-3-5/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid?
2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid has a molecular weight of 176.17 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid is sourced from PubChem (CID 102605319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).