oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate

C13H23NO3 — CID 64700220

IUPACoxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
SMILESNC1(CC(=O)OCC2CCCCO2)CCCC1
InChIInChI=1S/C13H23NO3/c14-13(6-2-3-7-13)9-12(15)17-10-11-5-1-4-8-16-11/h11H,1-10,14H2
InChIKeyZHOLTQIOQAKWKR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.76
Rot. Bonds4

About oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate

oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate (PubChem CID 64700220) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
PubChem CID64700220
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameoxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
SMILESNC1(CC(=O)OCC2CCCCO2)CCCC1
InChIInChI=1S/C13H23NO3/c14-13(6-2-3-7-13)9-12(15)17-10-11-5-1-4-8-16-11/h11H,1-10,14H2
InChIKeyZHOLTQIOQAKWKR-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444618
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
oxan-2-ylmethyl 1-cyanocyclohexane-1-carboxylate
CID 60584395
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081
1-(oxolan-2-ylmethoxymethyl)cyclohexan-1-amine
CID 64572264
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate?
The IUPAC name of oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate (CID 64700220) is oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate.
What is the SMILES notation for oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate?
The canonical SMILES for oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate is NC1(CC(=O)OCC2CCCCO2)CCCC1.
What is the InChIKey of oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate?
The InChIKey is ZHOLTQIOQAKWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-13(6-2-3-7-13)9-12(15)17-10-11-5-1-4-8-16-11/h11H,1-10,14H2.
What are the key properties of oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate?
oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate is sourced from PubChem (CID 64700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).