(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride

C17H19ClN2O2 — CID 135389134

IUPAC(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C17H18N2O2.ClH/c18-16-9-10-19(17(16)20)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,18H2;1H/t16-;/m1./s1
InChIKeyCNIFTYJVFMPEBG-PKLMIRHRSA-N
MW318.80 g/mol
LogP2.75
Rot. Bonds4

About (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride

(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 135389134) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID135389134
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O
InChIInChI=1S/C17H18N2O2.ClH/c18-16-9-10-19(17(16)20)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,18H2;1H/t16-;/m1./s1
InChIKeyCNIFTYJVFMPEBG-PKLMIRHRSA-N
XLogP2.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[3-(2-phenylethynyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 135387305
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
(3S)-2-oxo-N-[(1R)-1-phenylethyl]-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 93331332
2-oxo-N-(1-phenylethyl)-1-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 46048961
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
CID 142835055
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
[5-oxo-1-(3-phenylmethoxyphenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677695
3-amino-1-phenylazepan-2-one
CID 59657864
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride (CID 135389134) is (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O.
What is the InChIKey of (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is CNIFTYJVFMPEBG-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c18-16-9-10-19(17(16)20)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13;/h1-8,11,16H,9-10,12,18H2;1H/t16-;/m1./s1.
What are the key properties of (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride?
(3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(3-phenylmethoxyphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 135389134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).