oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate

C13H23NO3 — CID 113309279

IUPACoxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCC2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO3/c14-10-13(5-1-2-6-13)12(15)17-9-11-3-7-16-8-4-11/h11H,1-10,14H2
InChIKeyIGNGQERDRCAWMT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.48
Rot. Bonds4

About oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate

oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 113309279) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID113309279
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCC2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO3/c14-10-13(5-1-2-6-13)12(15)17-9-11-3-7-16-8-4-11/h11H,1-10,14H2
InChIKeyIGNGQERDRCAWMT-UHFFFAOYSA-N
XLogP1.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433872
oxan-2-ylmethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444618
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279
oxan-4-ylmethyl carbamate
CID 134587773
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 106203040
(2-methylcyclohexyl) 4-(aminomethyl)oxane-4-carboxylate
CID 115440228
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436617

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate (CID 113309279) is oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate is NCC1(C(=O)OCC2CCOCC2)CCCC1.
What is the InChIKey of oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is IGNGQERDRCAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-10-13(5-1-2-6-13)12(15)17-9-11-3-7-16-8-4-11/h11H,1-10,14H2.
What are the key properties of oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 113309279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).