(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one

C16H24N2O3 — CID 129398366

IUPAC(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(C[C@H](O)COC)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H24N2O3/c1-3-17(11-14(19)12-21-2)15-9-10-18(16(15)20)13-7-5-4-6-8-13/h4-8,14-15,19H,3,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZMDFTMCWVHVLQY-GJZGRUSLSA-N
MW292.38 g/mol
LogP1.12
Rot. Bonds7

About (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one

(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one (PubChem CID 129398366) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one
PubChem CID129398366
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one
SMILESCCN(C[C@H](O)COC)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H24N2O3/c1-3-17(11-14(19)12-21-2)15-9-10-18(16(15)20)13-7-5-4-6-8-13/h4-8,14-15,19H,3,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyZMDFTMCWVHVLQY-GJZGRUSLSA-N
XLogP1.12
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[ethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 99837331
(3R)-3-[ethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 124625064
3-[ethyl-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 56785991
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
2-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119323654
(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 95619575
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 166427367
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one
CID 124621246
2-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119319409
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 120562641

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one (CID 129398366) is (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one is CCN(C[C@H](O)COC)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one?
The InChIKey is ZMDFTMCWVHVLQY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17(11-14(19)12-21-2)15-9-10-18(16(15)20)13-7-5-4-6-8-13/h4-8,14-15,19H,3,9-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one?
(3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[ethyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 129398366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).