2-(oxolan-2-yl)cyclopropane-1-carboxylic acid

C8H12O3 — CID 82836902

IUPAC2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CCCO1
InChIInChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyYCNDRFSHDFNOFP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid

2-(oxolan-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 82836902) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
PubChem CID82836902
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CCCO1
InChIInChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10)
InChIKeyYCNDRFSHDFNOFP-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
CID 122360122
4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-5-carboxylic acid
CID 117273264
(3S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-carboxylic acid
CID 124748850
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
5-(oxolan-2-yl)oxolane-2-carboxylic acid
CID 71756387
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
CID 80997581
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)cyclobutane-1-carboxylic acid
CID 120975238
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
(2S,3S)-2-ethenyloxane-3-carboxylic acid
CID 124710311
oxolane-2-carboxylic acid;silver
CID 160678639

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid (CID 82836902) is 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YCNDRFSHDFNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h5-7H,1-4H2,(H,9,10).
What are the key properties of 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid?
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82836902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).