2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid

C12H18O7 — CID 159098130

IUPAC2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid
SMILESCC(=O)OC(C(=O)O)C1CC1.O=C(O)C(O)C1CC1
InChIInChI=1S/C7H10O4.C5H8O3/c1-4(8)11-6(7(9)10)5-2-3-5;6-4(5(7)8)3-1-2-3/h5-6H,2-3H2,1H3,(H,9,10);3-4,6H,1-2H2,(H,7,8)
InChIKeyKCXVHMUYYPVUCE-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.25
Rot. Bonds5

About 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid

2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid (PubChem CID 159098130) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid
PubChem CID159098130
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid
SMILESCC(=O)OC(C(=O)O)C1CC1.O=C(O)C(O)C1CC1
InChIInChI=1S/C7H10O4.C5H8O3/c1-4(8)11-6(7(9)10)5-2-3-5;6-4(5(7)8)3-1-2-3/h5-6H,2-3H2,1H3,(H,9,10);3-4,6H,1-2H2,(H,7,8)
InChIKeyKCXVHMUYYPVUCE-UHFFFAOYSA-N
XLogP0.25
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-hydroxy-2-(4-propylcyclohexyl)acetic acid
CID 66289223
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
1-cyclopentylethyl acetate
CID 12705472
(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
2-cyclopropyl-2-(2-cyclopropylethoxy)acetic acid
CID 106199301

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid?
The IUPAC name of 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid (CID 159098130) is 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid.
What is the SMILES notation for 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid?
The canonical SMILES for 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid is CC(=O)OC(C(=O)O)C1CC1.O=C(O)C(O)C1CC1.
What is the InChIKey of 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid?
The InChIKey is KCXVHMUYYPVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.C5H8O3/c1-4(8)11-6(7(9)10)5-2-3-5;6-4(5(7)8)3-1-2-3/h5-6H,2-3H2,1H3,(H,9,10);3-4,6H,1-2H2,(H,7,8).
What are the key properties of 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid?
2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid has a molecular weight of 274.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid is sourced from PubChem (CID 159098130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).