5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid

C13H23NO3 — CID 103237849

IUPAC5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNCC2CCCCC2)O1
InChIInChI=1S/C13H23NO3/c15-13(16)12-7-6-11(17-12)9-14-8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyQNEGIOGAIBOHLP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds5

About 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid

5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 103237849) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
PubChem CID103237849
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNCC2CCCCC2)O1
InChIInChI=1S/C13H23NO3/c15-13(16)12-7-6-11(17-12)9-14-8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyQNEGIOGAIBOHLP-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
5-[(3-cyclopropylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103267996
5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103237545
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
5-[[2-(3-methylcyclohexyl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103252796
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]oxolane-2-carboxylic acid
CID 106149085
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid (CID 103237849) is 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CNCC2CCCCC2)O1.
What is the InChIKey of 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is QNEGIOGAIBOHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-13(16)12-7-6-11(17-12)9-14-8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16).
What are the key properties of 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid?
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103237849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).