(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C17H23N3O2 — CID 124695032

IUPAC(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](N)C3)C2=O)cc1C
InChIInChI=1S/C17H23N3O2/c1-11-3-4-14(9-12(11)2)20-8-6-15(17(20)22)16(21)19-7-5-13(18)10-19/h3-4,9,13,15H,5-8,10,18H2,1-2H3/t13-,15-/m1/s1
InChIKeyIDJSXWFWTMXWCM-UKRRQHHQSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds2

About (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 124695032) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID124695032
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](N)C3)C2=O)cc1C
InChIInChI=1S/C17H23N3O2/c1-11-3-4-14(9-12(11)2)20-8-6-15(17(20)22)16(21)19-7-5-13(18)10-19/h3-4,9,13,15H,5-8,10,18H2,1-2H3/t13-,15-/m1/s1
InChIKeyIDJSXWFWTMXWCM-UKRRQHHQSA-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'}

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Related Compounds

(3S)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 124695127
(3S)-3-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 124694739
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 119412734
(3R)-N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 95049411
1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 42863491
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 124611408
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-difluorophenyl)pyrrolidin-2-one
CID 125147070
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
(3R)-N-[3-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94477713
3-[(3S)-1-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124694731
4-[[1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229691

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 124695032) is (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](N)C3)C2=O)cc1C.
What is the InChIKey of (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is IDJSXWFWTMXWCM-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-3-4-14(9-12(11)2)20-8-6-15(17(20)22)16(21)19-7-5-13(18)10-19/h3-4,9,13,15H,5-8,10,18H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
(3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-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 (3R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124695032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).