2-(cyclopropylmethyl)oxolane-2-carboxylic acid

C9H14O3 — CID 131146655

IUPAC2-(cyclopropylmethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCCO1
InChIInChI=1S/C9H14O3/c10-8(11)9(4-1-5-12-9)6-7-2-3-7/h7H,1-6H2,(H,10,11)
InChIKeyMRZAHQHLXGCACM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.42
Rot. Bonds3

About 2-(cyclopropylmethyl)oxolane-2-carboxylic acid

2-(cyclopropylmethyl)oxolane-2-carboxylic acid (PubChem CID 131146655) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)oxolane-2-carboxylic acid
PubChem CID131146655
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(cyclopropylmethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCCO1
InChIInChI=1S/C9H14O3/c10-8(11)9(4-1-5-12-9)6-7-2-3-7/h7H,1-6H2,(H,10,11)
InChIKeyMRZAHQHLXGCACM-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-Difluorocyclobutyl)methyl]oxolane-2-carboxylic acid
CID 127019760
2-[(2,2-Difluorocyclopropyl)methyl]oxolane-2-carboxylic acid
CID 164659745
4-Propyloxolane-2-carboxylic acid
CID 20309811
2-Oxabicyclo[3.1.0]hexane-1-carboxylic acid
CID 21401806
3-Oxabicyclo[3.1.0]hexane-2-carboxylic acid
CID 55303307
2-Pentadecyloxolane-2-carboxylic acid
CID 67566200
(1R,5S)-3-oxabicyclo[3.1.0]hexane-2-carboxylic acid
CID 68652773
2-Cyclohexyloxolane-2-carboxylic acid
CID 70073269
2-(3-Hydroxy-2-methylpropyl)oxolane-2-carboxylic acid
CID 70073700
2-Cyclopropyloxolane-2-carboxylic acid
CID 131146471
3-Cyclohexyloxolane-2-carboxylic acid
CID 140436766
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)oxolane-2-carboxylic acid (CID 131146655) is 2-(cyclopropylmethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)oxolane-2-carboxylic acid is O=C(O)C1(CC2CC2)CCCO1.
What is the InChIKey of 2-(cyclopropylmethyl)oxolane-2-carboxylic acid?
The InChIKey is MRZAHQHLXGCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)9(4-1-5-12-9)6-7-2-3-7/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(cyclopropylmethyl)oxolane-2-carboxylic acid?
2-(cyclopropylmethyl)oxolane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 131146655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).