2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride

C15H18ClN3O3 — CID 119410513

IUPAC2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-9-2-3-11-12(6-9)15(21)18(14(11)20)8-13(19)17-5-4-10(16)7-17;/h2-3,6,10H,4-5,7-8,16H2,1H3;1H/t10-;/m1./s1
InChIKeyPBPOMGSPJMRUPQ-HNCPQSOCSA-N
MW323.78 g/mol
LogP0.57
Rot. Bonds2

About 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride

2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride (PubChem CID 119410513) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
PubChem CID119410513
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-9-2-3-11-12(6-9)15(21)18(14(11)20)8-13(19)17-5-4-10(16)7-17;/h2-3,6,10H,4-5,7-8,16H2,1H3;1H/t10-;/m1./s1
InChIKeyPBPOMGSPJMRUPQ-HNCPQSOCSA-N
XLogP0.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119374064
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
5-methyl-2-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119577661
2-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119485488
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120656152
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119413337
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
1-(3-aminopyrrolidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119482915
5-methyl-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192106
5-bromo-2-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 119397116
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119412569

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride (CID 119410513) is 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride is Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O.Cl.
What is the InChIKey of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride?
The InChIKey is PBPOMGSPJMRUPQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-9-2-3-11-12(6-9)15(21)18(14(11)20)8-13(19)17-5-4-10(16)7-17;/h2-3,6,10H,4-5,7-8,16H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride?
2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119410513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).