2-(oxan-4-ylmethoxy)propanoic acid

C9H16O4 — CID 62384175

IUPAC2-(oxan-4-ylmethoxy)propanoic acid
SMILESCC(OCC1CCOCC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyZRYLRZLLIJBTMB-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.90
Rot. Bonds4

About 2-(oxan-4-ylmethoxy)propanoic acid

2-(oxan-4-ylmethoxy)propanoic acid (PubChem CID 62384175) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)propanoic acid
PubChem CID62384175
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(oxan-4-ylmethoxy)propanoic acid
SMILESCC(OCC1CCOCC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyZRYLRZLLIJBTMB-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
2-(oxan-4-ylmethoxy)propanimidamide
CID 62383007
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
oxan-4-ylmethyl carbamate
CID 134587773
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415
2-(cyclobutylmethoxy)propanamide
CID 164935394

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)propanoic acid?
The IUPAC name of 2-(oxan-4-ylmethoxy)propanoic acid (CID 62384175) is 2-(oxan-4-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)propanoic acid?
The canonical SMILES for 2-(oxan-4-ylmethoxy)propanoic acid is CC(OCC1CCOCC1)C(=O)O.
What is the InChIKey of 2-(oxan-4-ylmethoxy)propanoic acid?
The InChIKey is ZRYLRZLLIJBTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(9(10)11)13-6-8-2-4-12-5-3-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(oxan-4-ylmethoxy)propanoic acid?
2-(oxan-4-ylmethoxy)propanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)propanoic acid is sourced from PubChem (CID 62384175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).