2-[(2R)-oxan-2-yl]acetic acid

C7H12O3 — CID 6556828

IUPAC2-[(2R)-oxan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCO1
InChIInChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9)/t6-/m1/s1
InChIKeyWRJWKHJGSNPGND-ZCFIWIBFSA-N
MW144.17 g/mol
LogP1.03
Rot. Bonds2

About 2-[(2R)-oxan-2-yl]acetic acid

2-[(2R)-oxan-2-yl]acetic acid (PubChem CID 6556828) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(2R)-oxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-oxan-2-yl]acetic acid
PubChem CID6556828
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(2R)-oxan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCO1
InChIInChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9)/t6-/m1/s1
InChIKeyWRJWKHJGSNPGND-ZCFIWIBFSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
2-(oxan-2-yl)acetyl isocyanate
CID 103512972
4,4-dimethyl-1-(oxan-2-yl)pentan-2-one
CID 167643908
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxan-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-oxan-2-yl]acetic acid (CID 6556828) is 2-[(2R)-oxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-oxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-oxan-2-yl]acetic acid is O=C(O)C[C@H]1CCCCO1.
What is the InChIKey of 2-[(2R)-oxan-2-yl]acetic acid?
The InChIKey is WRJWKHJGSNPGND-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of 2-[(2R)-oxan-2-yl]acetic acid?
2-[(2R)-oxan-2-yl]acetic acid has a molecular weight of 144.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxan-2-yl]acetic acid is sourced from PubChem (CID 6556828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).