2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid

C8H14O4 — CID 134207969

IUPAC2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
SMILESCC(OC[C@@H]1CCOC1)C(=O)O
InChIInChI=1S/C8H14O4/c1-6(8(9)10)12-5-7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m1/s1
InChIKeyFFMWIIMVNJMLSN-COBSHVIPSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds4

About 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid

2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid (PubChem CID 134207969) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
PubChem CID134207969
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
SMILESCC(OC[C@@H]1CCOC1)C(=O)O
InChIInChI=1S/C8H14O4/c1-6(8(9)10)12-5-7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m1/s1
InChIKeyFFMWIIMVNJMLSN-COBSHVIPSA-N
XLogP0.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
2-methyl-3-(oxolan-3-ylmethoxy)propanoic acid
CID 114995904
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
CID 64708577
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
2-[methyl-[3-(oxolan-3-yl)propanoyl]amino]propanoic acid
CID 119358520
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
oxolan-3-ylmethyl 6-amino-2-methylheptanoate
CID 65284885
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
ethane;3-(methoxymethyl)oxolane
CID 143285946

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid?
The IUPAC name of 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid (CID 134207969) is 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid.
What is the SMILES notation for 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid?
The canonical SMILES for 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid is CC(OC[C@@H]1CCOC1)C(=O)O.
What is the InChIKey of 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid?
The InChIKey is FFMWIIMVNJMLSN-COBSHVIPSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(8(9)10)12-5-7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m1/s1.
What are the key properties of 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid?
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid is sourced from PubChem (CID 134207969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).