(2R,3S)-2-ethyloxolane-3-carboxylic acid

C7H12O3 — CID 97048146

IUPAC(2R,3S)-2-ethyloxolane-3-carboxylic acid
SMILESCC[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyHFPFPHAYXNXEFW-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds2

About (2R,3S)-2-ethyloxolane-3-carboxylic acid

(2R,3S)-2-ethyloxolane-3-carboxylic acid (PubChem CID 97048146) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,3S)-2-ethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-ethyloxolane-3-carboxylic acid
PubChem CID97048146
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,3S)-2-ethyloxolane-3-carboxylic acid
SMILESCC[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1
InChIKeyHFPFPHAYXNXEFW-NTSWFWBYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
2-pentyloxolane-3-carboxylic acid
CID 79368786
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
CID 114104298
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 114105199
2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114106570
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
CID 114104255
(2S,3S)-2-ethyl-N,N-dimethyloxane-3-carboxamide
CID 130638177
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyloxolane-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-ethyloxolane-3-carboxylic acid (CID 97048146) is (2R,3S)-2-ethyloxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-ethyloxolane-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-ethyloxolane-3-carboxylic acid is CC[C@H]1OCC[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S)-2-ethyloxolane-3-carboxylic acid?
The InChIKey is HFPFPHAYXNXEFW-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6-5(7(8)9)3-4-10-6/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-2-ethyloxolane-3-carboxylic acid?
(2R,3S)-2-ethyloxolane-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyloxolane-3-carboxylic acid is sourced from PubChem (CID 97048146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).