oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate

C12H21NO3 — CID 115433872

IUPACoxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCC2CCOC2)CCCC1
InChIInChI=1S/C12H21NO3/c13-9-12(4-1-2-5-12)11(14)16-8-10-3-6-15-7-10/h10H,1-9,13H2
InChIKeyFVGBZEPISWEERA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.09
Rot. Bonds4

About oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate

oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 115433872) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID115433872
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameoxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESNCC1(C(=O)OCC2CCOC2)CCCC1
InChIInChI=1S/C12H21NO3/c13-9-12(4-1-2-5-12)11(14)16-8-10-3-6-15-7-10/h10H,1-9,13H2
InChIKeyFVGBZEPISWEERA-UHFFFAOYSA-N
XLogP1.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309279
oxan-2-ylmethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444618
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
oxolan-3-ylmethyl 4-methyl-2-oxo-1,3-dioxane-4-carboxylate
CID 130226901
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 106203040
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 115452951
oxolan-3-ylmethyl 5-amino-2-methylpentanoate
CID 104686029
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
oxan-4-ylmethyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 62383279
1,3-dioxo-4-(oxolan-3-yl)-1-(oxolan-3-ylmethoxy)butane-2-sulfonate
CID 153432683
N-[1-(aminomethyl)cyclopentyl]-3-(oxolan-3-yl)propanamide
CID 119567070

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate (CID 115433872) is oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate is NCC1(C(=O)OCC2CCOC2)CCCC1.
What is the InChIKey of oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is FVGBZEPISWEERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c13-9-12(4-1-2-5-12)11(14)16-8-10-3-6-15-7-10/h10H,1-9,13H2.
What are the key properties of oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate?
oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 115433872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).