1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one

C18H26N2O2 — CID 124744134

IUPAC1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NC[C@H]1CCC[C@H]1O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-13(19-12-15-4-2-5-17(15)21)14-7-9-16(10-8-14)20-11-3-6-18(20)22/h7-10,13,15,17,19,21H,2-6,11-12H2,1H3/t13-,15+,17+/m0/s1
InChIKeyZKMGESZZBHENLM-YSVLISHTSA-N
MW302.42 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 124744134) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID124744134
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NC[C@H]1CCC[C@H]1O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-13(19-12-15-4-2-5-17(15)21)14-7-9-16(10-8-14)20-11-3-6-18(20)22/h7-10,13,15,17,19,21H,2-6,11-12H2,1H3/t13-,15+,17+/m0/s1
InChIKeyZKMGESZZBHENLM-YSVLISHTSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[(1R)-1-[[(2S)-1,1-dioxothiolan-2-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97103583
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
1-[4-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 84598087
1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97103499
1-[4-[(1R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97333778
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-[4-[(1S)-1-[[4-(dimethylamino)oxan-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97322468
1-[4-[(1S)-1-(3-imidazol-1-ylpropylamino)ethyl]phenyl]pyrrolidin-2-one
CID 97228964

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 124744134) is 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one is C[C@H](NC[C@H]1CCC[C@H]1O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is ZKMGESZZBHENLM-YSVLISHTSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(19-12-15-4-2-5-17(15)21)14-7-9-16(10-8-14)20-11-3-6-18(20)22/h7-10,13,15,17,19,21H,2-6,11-12H2,1H3/t13-,15+,17+/m0/s1.
What are the key properties of 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 124744134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).