(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid

C7H10O3 — CID 121475933

IUPAC(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC=CO1
InChIInChI=1S/C7H10O3/c1-7(6(8)9)4-2-3-5-10-7/h3,5H,2,4H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyUXZQCTOFSDBNQI-SSDOTTSWSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds1

About (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid

(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid (PubChem CID 121475933) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
PubChem CID121475933
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC=CO1
InChIInChI=1S/C7H10O3/c1-7(6(8)9)4-2-3-5-10-7/h3,5H,2,4H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyUXZQCTOFSDBNQI-SSDOTTSWSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-formyl-3,4-dihydropyran-2-carboxylic acid
CID 18955221
(2S)-2-methyl-4-oxo-3H-pyran-2-carboxylic acid
CID 90471039
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid
CID 130656125
2-methyl-N-phenyl-3H-furan-2-carboxamide
CID 21116633
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
(2-methyl-3,4-dihydropyran-2-yl)methyl but-2-enoate
CID 54477396
methane;5-methyl-2,2-dioxooxathiolane-5-carboxylic acid
CID 87372551
2-(2,2-dimethylpropyl)-2-methyl-3,4-dihydropyran
CID 154092606
2-methoxycarbonyl-3H-furan-2-carboxylic acid
CID 141135172
6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid
CID 130585368
(1S)-1-[(1S)-1-carboxycyclohex-3-en-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 175074133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid (CID 121475933) is (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid is C[C@]1(C(=O)O)CCC=CO1.
What is the InChIKey of (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid?
The InChIKey is UXZQCTOFSDBNQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(6(8)9)4-2-3-5-10-7/h3,5H,2,4H2,1H3,(H,8,9)/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid?
(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid is sourced from PubChem (CID 121475933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).