3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one

C13H18N2O2 — CID 130948949

IUPAC3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
SMILESNC1CN(CCCOCc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O2/c14-12-9-15(13(12)16)7-4-8-17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyZEPLXMOSDGFQIJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.76
Rot. Bonds6

About 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one

3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one (PubChem CID 130948949) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
PubChem CID130948949
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
SMILESNC1CN(CCCOCc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O2/c14-12-9-15(13(12)16)7-4-8-17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyZEPLXMOSDGFQIJ-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one (CID 130948949) is 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one is NC1CN(CCCOCc2ccccc2)C1=O.
What is the InChIKey of 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one?
The InChIKey is ZEPLXMOSDGFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-9-15(13(12)16)7-4-8-17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2.
What are the key properties of 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one?
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one is sourced from PubChem (CID 130948949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).