oxetan-3-yl 3-aminobutanoate

C7H13NO3 — CID 102606904

IUPACoxetan-3-yl 3-aminobutanoate
SMILESCC(N)CC(=O)OC1COC1
InChIInChI=1S/C7H13NO3/c1-5(8)2-7(9)11-6-3-10-4-6/h5-6H,2-4,8H2,1H3
InChIKeyOQNFCUIGSUEZRG-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.33
Rot. Bonds3

About oxetan-3-yl 3-aminobutanoate

oxetan-3-yl 3-aminobutanoate (PubChem CID 102606904) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is oxetan-3-yl 3-aminobutanoate.

Molecular Properties

Compound Nameoxetan-3-yl 3-aminobutanoate
PubChem CID102606904
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameoxetan-3-yl 3-aminobutanoate
SMILESCC(N)CC(=O)OC1COC1
InChIInChI=1S/C7H13NO3/c1-5(8)2-7(9)11-6-3-10-4-6/h5-6H,2-4,8H2,1H3
InChIKeyOQNFCUIGSUEZRG-UHFFFAOYSA-N
XLogP-0.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 3-aminobutanoate?
The IUPAC name of oxetan-3-yl 3-aminobutanoate (CID 102606904) is oxetan-3-yl 3-aminobutanoate.
What is the SMILES notation for oxetan-3-yl 3-aminobutanoate?
The canonical SMILES for oxetan-3-yl 3-aminobutanoate is CC(N)CC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 3-aminobutanoate?
The InChIKey is OQNFCUIGSUEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(8)2-7(9)11-6-3-10-4-6/h5-6H,2-4,8H2,1H3.
What are the key properties of oxetan-3-yl 3-aminobutanoate?
oxetan-3-yl 3-aminobutanoate has a molecular weight of 159.18 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 3-aminobutanoate is sourced from PubChem (CID 102606904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).