(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one

C16H22N2O2 — CID 99854367

IUPAC(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
SMILESC[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)17-14-9-10-18(16(14)19)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3/t12-,14-,15-/m0/s1
InChIKeyIDYYTJXAGAFCHE-QEJZJMRPSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds4

About (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one

(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one (PubChem CID 99854367) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
PubChem CID99854367
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
SMILESC[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCCO1
InChIInChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)17-14-9-10-18(16(14)19)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3/t12-,14-,15-/m0/s1
InChIKeyIDYYTJXAGAFCHE-QEJZJMRPSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one (CID 99854367) is (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one is C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCCO1.
What is the InChIKey of (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one?
The InChIKey is IDYYTJXAGAFCHE-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(15-8-5-11-20-15)17-14-9-10-18(16(14)19)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,17H,5,8-11H2,1H3/t12-,14-,15-/m0/s1.
What are the key properties of (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one?
(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 99854367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).