3-(2-phenylethylamino)oxolan-2-one

C12H15NO2 — CID 43823897

IUPAC3-(2-phenylethylamino)oxolan-2-one
SMILESO=C1OCCC1NCCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-11(7-9-15-12)13-8-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyGSIZCCMOHVVUPT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.13
Rot. Bonds4

About 3-(2-phenylethylamino)oxolan-2-one

3-(2-phenylethylamino)oxolan-2-one (PubChem CID 43823897) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-phenylethylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(2-phenylethylamino)oxolan-2-one
PubChem CID43823897
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(2-phenylethylamino)oxolan-2-one
SMILESO=C1OCCC1NCCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-11(7-9-15-12)13-8-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyGSIZCCMOHVVUPT-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

(3S)-3-(3-phenylpropylamino)oxetan-2-one
CID 134151939
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
CID 18635454
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
1-benzyl-3-[(3S)-2-oxooxolan-3-yl]thiourea
CID 7638193
3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
3-[(2-fluorophenyl)methylamino]oxolan-2-one
CID 43824122
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
3-(2-phenylethylamino)azepan-2-one
CID 43199237
1,1-dioxo-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43761854

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)oxolan-2-one?
The IUPAC name of 3-(2-phenylethylamino)oxolan-2-one (CID 43823897) is 3-(2-phenylethylamino)oxolan-2-one.
What is the SMILES notation for 3-(2-phenylethylamino)oxolan-2-one?
The canonical SMILES for 3-(2-phenylethylamino)oxolan-2-one is O=C1OCCC1NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)oxolan-2-one?
The InChIKey is GSIZCCMOHVVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12-11(7-9-15-12)13-8-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 3-(2-phenylethylamino)oxolan-2-one?
3-(2-phenylethylamino)oxolan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)oxolan-2-one is sourced from PubChem (CID 43823897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).