2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid

C8H12O4 — CID 129384941

IUPAC2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@H]1CCC=CO1
InChIInChI=1S/C8H12O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,9,10)/t7-/m1/s1
InChIKeyFZFFLDBSOLPKAV-SSDOTTSWSA-N
MW172.18 g/mol
LogP0.78
Rot. Bonds4

About 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid

2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid (PubChem CID 129384941) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid
PubChem CID129384941
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@H]1CCC=CO1
InChIInChI=1S/C8H12O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,9,10)/t7-/m1/s1
InChIKeyFZFFLDBSOLPKAV-SSDOTTSWSA-N
XLogP0.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid (CID 129384941) is 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid is O=C(O)COC[C@H]1CCC=CO1.
What is the InChIKey of 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid?
The InChIKey is FZFFLDBSOLPKAV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7H,1,3,5-6H2,(H,9,10)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid?
2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid has a molecular weight of 172.18 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy]acetic acid is sourced from PubChem (CID 129384941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).