oxetan-3-yl 2-amino-2-ethylbutanoate

C9H17NO3 — CID 102606805

IUPACoxetan-3-yl 2-amino-2-ethylbutanoate
SMILESCCC(N)(CC)C(=O)OC1COC1
InChIInChI=1S/C9H17NO3/c1-3-9(10,4-2)8(11)13-7-5-12-6-7/h7H,3-6,10H2,1-2H3
InChIKeyZWCWQJKXJQMLOB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds4

About oxetan-3-yl 2-amino-2-ethylbutanoate

oxetan-3-yl 2-amino-2-ethylbutanoate (PubChem CID 102606805) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxetan-3-yl 2-amino-2-ethylbutanoate.

Molecular Properties

Compound Nameoxetan-3-yl 2-amino-2-ethylbutanoate
PubChem CID102606805
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxetan-3-yl 2-amino-2-ethylbutanoate
SMILESCCC(N)(CC)C(=O)OC1COC1
InChIInChI=1S/C9H17NO3/c1-3-9(10,4-2)8(11)13-7-5-12-6-7/h7H,3-6,10H2,1-2H3
InChIKeyZWCWQJKXJQMLOB-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
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-amino-2-ethylbutanoate?
The IUPAC name of oxetan-3-yl 2-amino-2-ethylbutanoate (CID 102606805) is oxetan-3-yl 2-amino-2-ethylbutanoate.
What is the SMILES notation for oxetan-3-yl 2-amino-2-ethylbutanoate?
The canonical SMILES for oxetan-3-yl 2-amino-2-ethylbutanoate is CCC(N)(CC)C(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 2-amino-2-ethylbutanoate?
The InChIKey is ZWCWQJKXJQMLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(10,4-2)8(11)13-7-5-12-6-7/h7H,3-6,10H2,1-2H3.
What are the key properties of oxetan-3-yl 2-amino-2-ethylbutanoate?
oxetan-3-yl 2-amino-2-ethylbutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 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-amino-2-ethylbutanoate is sourced from PubChem (CID 102606805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).