oxetan-3-yl 2-aminopentanoate

C8H15NO3 — CID 102606817

IUPACoxetan-3-yl 2-aminopentanoate
SMILESCCCC(N)C(=O)OC1COC1
InChIInChI=1S/C8H15NO3/c1-2-3-7(9)8(10)12-6-4-11-5-6/h6-7H,2-5,9H2,1H3
InChIKeyLLQXMOWQKLHNAD-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds4

About oxetan-3-yl 2-aminopentanoate

oxetan-3-yl 2-aminopentanoate (PubChem CID 102606817) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is oxetan-3-yl 2-aminopentanoate.

Molecular Properties

Compound Nameoxetan-3-yl 2-aminopentanoate
PubChem CID102606817
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameoxetan-3-yl 2-aminopentanoate
SMILESCCCC(N)C(=O)OC1COC1
InChIInChI=1S/C8H15NO3/c1-2-3-7(9)8(10)12-6-4-11-5-6/h6-7H,2-5,9H2,1H3
InChIKeyLLQXMOWQKLHNAD-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2-aminopentanoate?
The IUPAC name of oxetan-3-yl 2-aminopentanoate (CID 102606817) is oxetan-3-yl 2-aminopentanoate.
What is the SMILES notation for oxetan-3-yl 2-aminopentanoate?
The canonical SMILES for oxetan-3-yl 2-aminopentanoate is CCCC(N)C(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 2-aminopentanoate?
The InChIKey is LLQXMOWQKLHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-7(9)8(10)12-6-4-11-5-6/h6-7H,2-5,9H2,1H3.
What are the key properties of oxetan-3-yl 2-aminopentanoate?
oxetan-3-yl 2-aminopentanoate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2-aminopentanoate is sourced from PubChem (CID 102606817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).