(3R)-oxane-3-carboxylic acid

C6H10O3 — CID 42554318

IUPAC(3R)-oxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCOC1
InChIInChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m1/s1
InChIKeyYEWPVCUHKJABMV-RXMQYKEDSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds1

About (3R)-oxane-3-carboxylic acid

(3R)-oxane-3-carboxylic acid (PubChem CID 42554318) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-oxane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-oxane-3-carboxylic acid
PubChem CID42554318
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-oxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCOC1
InChIInChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m1/s1
InChIKeyYEWPVCUHKJABMV-RXMQYKEDSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-oxepane-4-carboxylic acid
CID 72698896
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxane-3-carboxamide
CID 22714381
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
methyl (3R)-oxane-3-carboxylate
CID 86306897
(3R)-oxolane-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159784262
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
5-(oxane-3-carbonyl)furan-2-carboxylic acid
CID 106946719
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
(3R)-oxane-3-carbothioamide
CID 96581763
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398
oxan-3-yl(phenyl)methanone
CID 63011351

Frequently Asked Questions

What is the IUPAC name of (3R)-oxane-3-carboxylic acid?
The IUPAC name of (3R)-oxane-3-carboxylic acid (CID 42554318) is (3R)-oxane-3-carboxylic acid.
What is the SMILES notation for (3R)-oxane-3-carboxylic acid?
The canonical SMILES for (3R)-oxane-3-carboxylic acid is O=C(O)[C@@H]1CCCOC1.
What is the InChIKey of (3R)-oxane-3-carboxylic acid?
The InChIKey is YEWPVCUHKJABMV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m1/s1.
What are the key properties of (3R)-oxane-3-carboxylic acid?
(3R)-oxane-3-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-oxane-3-carboxylic acid is sourced from PubChem (CID 42554318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).