(3S)-3-(3-phenylpropylamino)oxetan-2-one

C12H15NO2 — CID 134151939

IUPAC(3S)-3-(3-phenylpropylamino)oxetan-2-one
SMILESO=C1OC[C@@H]1NCCCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-11(9-15-12)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2/t11-/m0/s1
InChIKeyLQUOGAYEWXBMTC-NSHDSACASA-N
MW205.26 g/mol
LogP1.13
Rot. Bonds5

About (3S)-3-(3-phenylpropylamino)oxetan-2-one

(3S)-3-(3-phenylpropylamino)oxetan-2-one (PubChem CID 134151939) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-3-(3-phenylpropylamino)oxetan-2-one.

Molecular Properties

Compound Name(3S)-3-(3-phenylpropylamino)oxetan-2-one
PubChem CID134151939
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S)-3-(3-phenylpropylamino)oxetan-2-one
SMILESO=C1OC[C@@H]1NCCCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-11(9-15-12)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2/t11-/m0/s1
InChIKeyLQUOGAYEWXBMTC-NSHDSACASA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3-phenylpropylamino)oxetan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylethylamino)oxolan-2-one
CID 43823897
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
2,2-dimethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 79864655
N-(3-phenylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43767150
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-phenylpropylamino)oxetan-2-one?
The IUPAC name of (3S)-3-(3-phenylpropylamino)oxetan-2-one (CID 134151939) is (3S)-3-(3-phenylpropylamino)oxetan-2-one.
What is the SMILES notation for (3S)-3-(3-phenylpropylamino)oxetan-2-one?
The canonical SMILES for (3S)-3-(3-phenylpropylamino)oxetan-2-one is O=C1OC[C@@H]1NCCCc1ccccc1.
What is the InChIKey of (3S)-3-(3-phenylpropylamino)oxetan-2-one?
The InChIKey is LQUOGAYEWXBMTC-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c14-12-11(9-15-12)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-(3-phenylpropylamino)oxetan-2-one?
(3S)-3-(3-phenylpropylamino)oxetan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-phenylpropylamino)oxetan-2-one is sourced from PubChem (CID 134151939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).