1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one

C17H26N2O3 — CID 111489131

IUPAC1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
SMILESCN(CC(O)CN1CCCC1=O)C(CCO)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-18(12-15(21)13-19-10-5-8-17(19)22)16(9-11-20)14-6-3-2-4-7-14/h2-4,6-7,15-16,20-21H,5,8-13H2,1H3
InChIKeyHBRZMARHDGIBEE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.03
Rot. Bonds8

About 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one (PubChem CID 111489131) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
PubChem CID111489131
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
SMILESCN(CC(O)CN1CCCC1=O)C(CCO)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-18(12-15(21)13-19-10-5-8-17(19)22)16(9-11-20)14-6-3-2-4-7-14/h2-4,6-7,15-16,20-21H,5,8-13H2,1H3
InChIKeyHBRZMARHDGIBEE-UHFFFAOYSA-N
XLogP1.03
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268
1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116491
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116380
1-[2-hydroxy-3-[methyl-[(5-methylthiophen-2-yl)methyl]amino]propyl]pyrrolidin-2-one
CID 111116556
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one (CID 111489131) is 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one is CN(CC(O)CN1CCCC1=O)C(CCO)c1ccccc1.
What is the InChIKey of 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one?
The InChIKey is HBRZMARHDGIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18(12-15(21)13-19-10-5-8-17(19)22)16(9-11-20)14-6-3-2-4-7-14/h2-4,6-7,15-16,20-21H,5,8-13H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 111489131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).