1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one

C16H24N2O3 — CID 124754856

IUPAC1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
SMILESCCN(CCN1CCCC1=O)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C16H24N2O3/c1-2-17(9-10-18-8-4-7-16(18)21)12-15(20)13-5-3-6-14(19)11-13/h3,5-6,11,15,19-20H,2,4,7-10,12H2,1H3/t15-/m0/s1
InChIKeyPAWMVOAHFJSOOQ-HNNXBMFYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds7

About 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one

1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 124754856) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
PubChem CID124754856
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
SMILESCCN(CCN1CCCC1=O)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C16H24N2O3/c1-2-17(9-10-18-8-4-7-16(18)21)12-15(20)13-5-3-6-14(19)11-13/h3,5-6,11,15,19-20H,2,4,7-10,12H2,1H3/t15-/m0/s1
InChIKeyPAWMVOAHFJSOOQ-HNNXBMFYSA-N
XLogP1.37
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121937
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
3-[2-[(5-tert-butylpyrazolidin-3-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
CID 134127829
1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116350
1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
CID 23036974
1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one
CID 7189333
3-[(1S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-1-hydroxyethyl]phenol
CID 124752843
1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
CID 71925035

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one (CID 124754856) is 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one is CCN(CCN1CCCC1=O)C[C@H](O)c1cccc(O)c1.
What is the InChIKey of 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is PAWMVOAHFJSOOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-17(9-10-18-8-4-7-16(18)21)12-15(20)13-5-3-6-14(19)11-13/h3,5-6,11,15,19-20H,2,4,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 124754856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).