3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid

C14H25NO3 — CID 55056173

IUPAC3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCN(CC1(C(=O)O)CCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-2-15(12-6-4-3-5-7-12)10-14(13(16)17)8-9-18-11-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyOWWVBZSANVDVMX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds5

About 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid

3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 55056173) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID55056173
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCCN(CC1(C(=O)O)CCOC1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-2-15(12-6-4-3-5-7-12)10-14(13(16)17)8-9-18-11-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyOWWVBZSANVDVMX-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid (CID 55056173) is 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid is CCN(CC1(C(=O)O)CCOC1)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is OWWVBZSANVDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-15(12-6-4-3-5-7-12)10-14(13(16)17)8-9-18-11-14/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(ethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55056173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).