(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one

C16H22N2O2 — CID 124829415

IUPAC(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1N[C@@H](C[C@@H]1CCOC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16-14(6-8-17-16)18-15(10-12-7-9-20-11-12)13-4-2-1-3-5-13/h1-5,12,14-15,18H,6-11H2,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyZZTWAMPBWNLWEN-QEJZJMRPSA-N
MW274.36 g/mol
LogP1.63
Rot. Bonds5

About (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one

(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one (PubChem CID 124829415) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
PubChem CID124829415
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1N[C@@H](C[C@@H]1CCOC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16-14(6-8-17-16)18-15(10-12-7-9-20-11-12)13-4-2-1-3-5-13/h1-5,12,14-15,18H,6-11H2,(H,17,19)/t12-,14-,15-/m0/s1
InChIKeyZZTWAMPBWNLWEN-QEJZJMRPSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 126802466
N-[2-(oxolan-3-yl)-1-phenylethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133413514
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
3-nitro-4-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413535
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 62092120
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one (CID 124829415) is (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one is O=C1NCC[C@@H]1N[C@@H](C[C@@H]1CCOC1)c1ccccc1.
What is the InChIKey of (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one?
The InChIKey is ZZTWAMPBWNLWEN-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16-14(6-8-17-16)18-15(10-12-7-9-20-11-12)13-4-2-1-3-5-13/h1-5,12,14-15,18H,6-11H2,(H,17,19)/t12-,14-,15-/m0/s1.
What are the key properties of (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one?
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 124829415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).