2-methoxy-2-(oxan-3-yl)propanoic acid

C9H16O4 — CID 105443022

IUPAC2-methoxy-2-(oxan-3-yl)propanoic acid
SMILESCOC(C)(C(=O)O)C1CCCOC1
InChIInChI=1S/C9H16O4/c1-9(12-2,8(10)11)7-4-3-5-13-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZTVSWYVSXKUSOE-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.90
Rot. Bonds3

About 2-methoxy-2-(oxan-3-yl)propanoic acid

2-methoxy-2-(oxan-3-yl)propanoic acid (PubChem CID 105443022) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-methoxy-2-(oxan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-(oxan-3-yl)propanoic acid
PubChem CID105443022
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-methoxy-2-(oxan-3-yl)propanoic acid
SMILESCOC(C)(C(=O)O)C1CCCOC1
InChIInChI=1S/C9H16O4/c1-9(12-2,8(10)11)7-4-3-5-13-6-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyZTVSWYVSXKUSOE-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-(oxan-3-yl)propanamide
CID 177167479
2-cyclopentyl-2-methoxypropanoic acid
CID 83827283
2-(oxan-3-yl)propan-2-amine
CID 82417868
3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
2-methyl-2-(oxan-3-ylsulfinyl)propanoic acid
CID 107137195
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
methyl (3R)-oxane-3-carboxylate
CID 86306897
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
CID 130488152
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxan-3-yl)propanoic acid?
The IUPAC name of 2-methoxy-2-(oxan-3-yl)propanoic acid (CID 105443022) is 2-methoxy-2-(oxan-3-yl)propanoic acid.
What is the SMILES notation for 2-methoxy-2-(oxan-3-yl)propanoic acid?
The canonical SMILES for 2-methoxy-2-(oxan-3-yl)propanoic acid is COC(C)(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-methoxy-2-(oxan-3-yl)propanoic acid?
The InChIKey is ZTVSWYVSXKUSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(12-2,8(10)11)7-4-3-5-13-6-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-2-(oxan-3-yl)propanoic acid?
2-methoxy-2-(oxan-3-yl)propanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxan-3-yl)propanoic acid is sourced from PubChem (CID 105443022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).