N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide

C12H13NO3 — CID 25227533

IUPACN-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H]1COC1=O
InChIInChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyUUEMOTWYJKOUPP-JTQLQIEISA-N
MW219.24 g/mol
LogP0.66
Rot. Bonds4

About N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide

N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide (PubChem CID 25227533) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide
PubChem CID25227533
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H]1COC1=O
InChIInChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyUUEMOTWYJKOUPP-JTQLQIEISA-N
XLogP0.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide (CID 25227533) is N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@H]1COC1=O.
What is the InChIKey of N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide?
The InChIKey is UUEMOTWYJKOUPP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide?
N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide has a molecular weight of 219.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 25227533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).