2-[(3S)-oxolan-3-yl]acetic acid

C6H10O3 — CID 14962793

IUPAC2-[(3S)-oxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCOC1
InChIInChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyJSWKBJIKVSXWDJ-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds2

About 2-[(3S)-oxolan-3-yl]acetic acid

2-[(3S)-oxolan-3-yl]acetic acid (PubChem CID 14962793) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]acetic acid
PubChem CID14962793
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[(3S)-oxolan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCOC1
InChIInChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyJSWKBJIKVSXWDJ-YFKPBYRVSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

3-Furanpropanoic acid, tetrahydro-2-oxo-
CID 120842
Tricarballylic anhydride
CID 239163
Tetrahydropyran-4-ylacetic acid
CID 2773575
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
cis-(1S,2S)-2-(ethoxymethyl)cyclopropane-1-carboxylic acid
CID 90666532
3-(Oxolan-3-yl)propanoic acid
CID 284090
2-(Oxolan-3-yl)acetic acid
CID 4244905
Exo-3-oxabicyclo(3.1.0)hexane-6-carboxylic acid
CID 12204423
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
3-(2-Hydroxyethyl)oxolan-2-one
CID 14047240

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-oxolan-3-yl]acetic acid (CID 14962793) is 2-[(3S)-oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]acetic acid is O=C(O)C[C@@H]1CCOC1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]acetic acid?
The InChIKey is JSWKBJIKVSXWDJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]acetic acid?
2-[(3S)-oxolan-3-yl]acetic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]acetic acid is sourced from PubChem (CID 14962793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).