2-(5-methyl-2-oxooxolan-3-yl)acetic acid

C7H10O4 — CID 12008548

IUPAC2-(5-methyl-2-oxooxolan-3-yl)acetic acid
SMILESCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C7H10O4/c1-4-2-5(3-6(8)9)7(10)11-4/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyAHQYOBHFBWDIFT-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.41
Rot. Bonds2

About 2-(5-methyl-2-oxooxolan-3-yl)acetic acid

2-(5-methyl-2-oxooxolan-3-yl)acetic acid (PubChem CID 12008548) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(5-methyl-2-oxooxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-oxooxolan-3-yl)acetic acid
PubChem CID12008548
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(5-methyl-2-oxooxolan-3-yl)acetic acid
SMILESCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C7H10O4/c1-4-2-5(3-6(8)9)7(10)11-4/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyAHQYOBHFBWDIFT-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
(2-Oxo-5-pentyl-tetrahydro-furan-3-yl)-acetic acid
CID 3242755
Methyl cis-3-hydroxycyclopentane-1-carboxylate
CID 239213
Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
CID 520596
3-[(2-Methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 18952950
Ethyl 3-hydroxycyclopentanecarboxylate
CID 53407781
(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
CID 55298805
(1S,3R)-3-Methoxycyclopentane-1-carboxylic acid
CID 70648251
4-Ethyltetrahydro-5-oxo-3-furanacetic acid
CID 110897
2-(2,5-Dimethyloxolan-3-yl)acetic acid
CID 131017929
2-(5,5-Dimethyloxolan-3-yl)acetic acid
CID 131098872
rac-2-[(3R,5S)-5-(trifluoromethyl)oxolan-3-yl]aceticacid,cis
CID 155858404

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxooxolan-3-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2-oxooxolan-3-yl)acetic acid (CID 12008548) is 2-(5-methyl-2-oxooxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-oxooxolan-3-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-oxooxolan-3-yl)acetic acid is CC1CC(CC(=O)O)C(=O)O1.
What is the InChIKey of 2-(5-methyl-2-oxooxolan-3-yl)acetic acid?
The InChIKey is AHQYOBHFBWDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-2-5(3-6(8)9)7(10)11-4/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(5-methyl-2-oxooxolan-3-yl)acetic acid?
2-(5-methyl-2-oxooxolan-3-yl)acetic acid has a molecular weight of 158.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxooxolan-3-yl)acetic acid is sourced from PubChem (CID 12008548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).