(2R)-5-prop-2-ynyloxolane-2-carboxylic acid

C8H10O3 — CID 175215996

IUPAC(2R)-5-prop-2-ynyloxolane-2-carboxylic acid
SMILESC#CCC1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O3/c1-2-3-6-4-5-7(11-6)8(9)10/h1,6-7H,3-5H2,(H,9,10)/t6?,7-/m1/s1
InChIKeyKAXIYELCRGAYBK-COBSHVIPSA-N
MW154.17 g/mol
LogP0.64
Rot. Bonds2

About (2R)-5-prop-2-ynyloxolane-2-carboxylic acid

(2R)-5-prop-2-ynyloxolane-2-carboxylic acid (PubChem CID 175215996) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2R)-5-prop-2-ynyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-prop-2-ynyloxolane-2-carboxylic acid
PubChem CID175215996
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name(2R)-5-prop-2-ynyloxolane-2-carboxylic acid
SMILESC#CCC1CC[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O3/c1-2-3-6-4-5-7(11-6)8(9)10/h1,6-7H,3-5H2,(H,9,10)/t6?,7-/m1/s1
InChIKeyKAXIYELCRGAYBK-COBSHVIPSA-N
XLogP0.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(sulfanylmethyl)oxolane-2-carboxylic acid
CID 62298704
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-(propan-2-ylsulfinylmethyl)oxolane-2-carboxylic acid
CID 62301023
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
5-[(hex-1-yn-3-ylamino)methyl]oxolane-2-carboxylic acid
CID 106231891
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[(1,1-dioxothiazinan-2-yl)methyl]oxolane-2-carboxylic acid
CID 116814491
(2R,5S)-5-[cyclopropylmethyl(prop-2-ynyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945558
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862

Frequently Asked Questions

What is the IUPAC name of (2R)-5-prop-2-ynyloxolane-2-carboxylic acid?
The IUPAC name of (2R)-5-prop-2-ynyloxolane-2-carboxylic acid (CID 175215996) is (2R)-5-prop-2-ynyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R)-5-prop-2-ynyloxolane-2-carboxylic acid?
The canonical SMILES for (2R)-5-prop-2-ynyloxolane-2-carboxylic acid is C#CCC1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R)-5-prop-2-ynyloxolane-2-carboxylic acid?
The InChIKey is KAXIYELCRGAYBK-COBSHVIPSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-6-4-5-7(11-6)8(9)10/h1,6-7H,3-5H2,(H,9,10)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-prop-2-ynyloxolane-2-carboxylic acid?
(2R)-5-prop-2-ynyloxolane-2-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-prop-2-ynyloxolane-2-carboxylic acid is sourced from PubChem (CID 175215996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).