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

C6H10O3 — CID 7201083

IUPAC2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCO1
InChIInChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyIEDVQOXHVRVPIX-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.64
Rot. Bonds2

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

2-[(2S)-oxolan-2-yl]acetic acid (PubChem CID 7201083) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]acetic acid
PubChem CID7201083
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCO1
InChIInChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKeyIEDVQOXHVRVPIX-YFKPBYRVSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-oxolan-2-yl]acetic acid (CID 7201083) is 2-[(2S)-oxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]acetic acid is O=C(O)C[C@@H]1CCCO1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]acetic acid?
The InChIKey is IEDVQOXHVRVPIX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]acetic acid?
2-[(2S)-oxolan-2-yl]acetic acid has a molecular weight of 130.14 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 2-[(2S)-oxolan-2-yl]acetic acid is sourced from PubChem (CID 7201083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).