2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid

C8H10O4 — CID 147934893

IUPAC2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid
SMILESC[C@@H]1C=CC(=O)OC1CC(=O)O
InChIInChI=1S/C8H10O4/c1-5-2-3-8(11)12-6(5)4-7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyIKPJXPGWLKYWFL-LWOQYNTDSA-N
MW170.16 g/mol
LogP0.58
Rot. Bonds2

About 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid

2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid (PubChem CID 147934893) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid
PubChem CID147934893
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid
SMILESC[C@@H]1C=CC(=O)OC1CC(=O)O
InChIInChI=1S/C8H10O4/c1-5-2-3-8(11)12-6(5)4-7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5-,6?/m1/s1
InChIKeyIKPJXPGWLKYWFL-LWOQYNTDSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 6-hydroxycyclohexa-1,3-diene-1-carboxylate
CID 12625500
4-Hydroxy-2-propan-2-yl-2,3-dihydropyran-6-one
CID 54713230
6-Ethoxy-4-fluoro-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 123377621
3-[(E)-3-cyclohexylprop-2-enoyl]oxy-2,2-difluoro-4-methylpentanoic acid
CID 164747130
methyl (E,3R,4S)-3-hydroxy-4-methyl-7-oxohept-5-enoate
CID 11694023
(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
CID 71352847
Methyl (1R,2S)-2-(acetyloxy)cyclohex-3-ene-1-carboxylate
CID 71400673
2-Acetyloxy-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 85989658
1-O,1-O-diethyl 5-O-methyl (E)-pent-4-ene-1,1,5-tricarboxylate
CID 102343717
4-(1-Carboxyethyl)-3-methylbut-2-ene-4-olide
CID 129717696
2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 134856376
(2S,3R)-2-[(E,4S,5R,6S)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
CID 134974645

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid (CID 147934893) is 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid is C[C@@H]1C=CC(=O)OC1CC(=O)O.
What is the InChIKey of 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid?
The InChIKey is IKPJXPGWLKYWFL-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-2-3-8(11)12-6(5)4-7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5-,6?/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid?
2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]acetic acid is sourced from PubChem (CID 147934893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).