(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one

C11H14N2O2 — CID 59905935

IUPAC(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N(Cc2cccc(O)c2)C1
InChIInChI=1S/C11H14N2O2/c12-9-5-11(15)13(7-9)6-8-2-1-3-10(14)4-8/h1-4,9,14H,5-7,12H2/t9-/m1/s1
InChIKeyORNHRQBFRWMYQN-SECBINFHSA-N
MW206.25 g/mol
LogP0.45
Rot. Bonds2

About (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one

(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 59905935) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
PubChem CID59905935
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N(Cc2cccc(O)c2)C1
InChIInChI=1S/C11H14N2O2/c12-9-5-11(15)13(7-9)6-8-2-1-3-10(14)4-8/h1-4,9,14H,5-7,12H2/t9-/m1/s1
InChIKeyORNHRQBFRWMYQN-SECBINFHSA-N
XLogP0.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168700328
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-(bromomethyl)-1-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 168505147
1-[[3-(hydroxymethyl)phenyl]methyl]-4-sulfanylpyrrolidin-2-one
CID 168709549
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
methyl 1-[(3-aminophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694329
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
CID 168702100
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
S-[1-[(3-aminophenyl)methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706232

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one (CID 59905935) is (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one is N[C@@H]1CC(=O)N(Cc2cccc(O)c2)C1.
What is the InChIKey of (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ORNHRQBFRWMYQN-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-5-11(15)13(7-9)6-8-2-1-3-10(14)4-8/h1-4,9,14H,5-7,12H2/t9-/m1/s1.
What are the key properties of (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one?
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59905935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).