oxan-4-yl 2-aminocyclopentane-1-carboxylate

C11H19NO3 — CID 64816678

IUPACoxan-4-yl 2-aminocyclopentane-1-carboxylate
SMILESNC1CCCC1C(=O)OC1CCOCC1
InChIInChI=1S/C11H19NO3/c12-10-3-1-2-9(10)11(13)15-8-4-6-14-7-5-8/h8-10H,1-7,12H2
InChIKeyALHISONSEMOXOB-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.84
Rot. Bonds2

About oxan-4-yl 2-aminocyclopentane-1-carboxylate

oxan-4-yl 2-aminocyclopentane-1-carboxylate (PubChem CID 64816678) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxan-4-yl 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 2-aminocyclopentane-1-carboxylate
PubChem CID64816678
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxan-4-yl 2-aminocyclopentane-1-carboxylate
SMILESNC1CCCC1C(=O)OC1CCOCC1
InChIInChI=1S/C11H19NO3/c12-10-3-1-2-9(10)11(13)15-8-4-6-14-7-5-8/h8-10H,1-7,12H2
InChIKeyALHISONSEMOXOB-UHFFFAOYSA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 2-aminocyclopentane-1-carboxylate?
The IUPAC name of oxan-4-yl 2-aminocyclopentane-1-carboxylate (CID 64816678) is oxan-4-yl 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for oxan-4-yl 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for oxan-4-yl 2-aminocyclopentane-1-carboxylate is NC1CCCC1C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 2-aminocyclopentane-1-carboxylate?
The InChIKey is ALHISONSEMOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-10-3-1-2-9(10)11(13)15-8-4-6-14-7-5-8/h8-10H,1-7,12H2.
What are the key properties of oxan-4-yl 2-aminocyclopentane-1-carboxylate?
oxan-4-yl 2-aminocyclopentane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64816678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).