(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one

C17H23N3O2 — CID 124695127

IUPAC(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC[C@@H](C(=O)N3CC[C@@H](N)C3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-11-7-12(2)9-14(8-11)20-6-4-15(17(20)22)16(21)19-5-3-13(18)10-19/h7-9,13,15H,3-6,10,18H2,1-2H3/t13-,15+/m1/s1
InChIKeyJSOFABSSFSPXNN-HIFRSBDPSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds2

About (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one

(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one (PubChem CID 124695127) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
PubChem CID124695127
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC[C@@H](C(=O)N3CC[C@@H](N)C3)C2=O)c1
InChIInChI=1S/C17H23N3O2/c1-11-7-12(2)9-14(8-11)20-6-4-15(17(20)22)16(21)19-5-3-13(18)10-19/h7-9,13,15H,3-6,10,18H2,1-2H3/t13-,15+/m1/s1
InChIKeyJSOFABSSFSPXNN-HIFRSBDPSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 124695032
1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-difluorophenyl)pyrrolidin-2-one
CID 125147070
1-(3,5-dimethylphenyl)-3-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166193469
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119
(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 119412734
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147
1-(3,5-dimethylphenyl)-3-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46062529
1-(3,5-dimethylphenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one
CID 91643063
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
CID 99602181
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 124611408

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one (CID 124695127) is (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one is Cc1cc(C)cc(N2CC[C@@H](C(=O)N3CC[C@@H](N)C3)C2=O)c1.
What is the InChIKey of (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is JSOFABSSFSPXNN-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-7-12(2)9-14(8-11)20-6-4-15(17(20)22)16(21)19-5-3-13(18)10-19/h7-9,13,15H,3-6,10,18H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one?
(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124695127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).