2-[(2R)-6-oxooxan-2-yl]acetic acid

C7H10O4 — CID 11171123

IUPAC2-[(2R)-6-oxooxan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C7H10O4/c8-6(9)4-5-2-1-3-7(10)11-5/h5H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKeyBNIGQMJUDQGVBJ-RXMQYKEDSA-N
MW158.15 g/mol
LogP0.56
Rot. Bonds2

About 2-[(2R)-6-oxooxan-2-yl]acetic acid

2-[(2R)-6-oxooxan-2-yl]acetic acid (PubChem CID 11171123) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-[(2R)-6-oxooxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-6-oxooxan-2-yl]acetic acid
PubChem CID11171123
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-[(2R)-6-oxooxan-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCC(=O)O1
InChIInChI=1S/C7H10O4/c8-6(9)4-5-2-1-3-7(10)11-5/h5H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKeyBNIGQMJUDQGVBJ-RXMQYKEDSA-N
XLogP0.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxan-2-yl)acetic acid
CID 3159611
4-Hydroxy-6-methyloxan-2-one
CID 241025
(4R,6R)-4-Hydroxy-6-methyltetrahydro-2H-pyran-2-one
CID 5324869
ZH8Pvv837L
CID 14025537
(4S,6S)-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one
CID 92228277
Tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-one
CID 538589
Methyl 2-(4-hydroxyoxan-2-yl)acetate
CID 137944546
(3s)-3-Hydroxyheptanedioic Acid
CID 87737490
Tetrahydro-4-hydroxy-6-propylpyran-2-one
CID 130907047
(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
CID 162962204
6-Methyltetrahydropyran-2-yl acetic acid
CID 535839
(+)-(3R,5R)-3-Hydroxy-5-decanolide
CID 10921238

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-oxooxan-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-6-oxooxan-2-yl]acetic acid (CID 11171123) is 2-[(2R)-6-oxooxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-6-oxooxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-6-oxooxan-2-yl]acetic acid is O=C(O)C[C@H]1CCCC(=O)O1.
What is the InChIKey of 2-[(2R)-6-oxooxan-2-yl]acetic acid?
The InChIKey is BNIGQMJUDQGVBJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O4/c8-6(9)4-5-2-1-3-7(10)11-5/h5H,1-4H2,(H,8,9)/t5-/m1/s1.
What are the key properties of 2-[(2R)-6-oxooxan-2-yl]acetic acid?
2-[(2R)-6-oxooxan-2-yl]acetic acid has a molecular weight of 158.15 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-oxooxan-2-yl]acetic acid is sourced from PubChem (CID 11171123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).