5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione

C17H21N3O3 — CID 119412569

IUPAC5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N)C3)cc2C1=O
InChIInChI=1S/C17H21N3O3/c1-2-3-7-20-16(22)13-5-4-11(9-14(13)17(20)23)15(21)19-8-6-12(18)10-19/h4-5,9,12H,2-3,6-8,10,18H2,1H3/t12-/m1/s1
InChIKeyDYZIASHKZOIFTR-GFCCVEGCSA-N
MW315.37 g/mol
LogP1.26
Rot. Bonds4

About 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione

5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione (PubChem CID 119412569) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
PubChem CID119412569
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
SMILESCCCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N)C3)cc2C1=O
InChIInChI=1S/C17H21N3O3/c1-2-3-7-20-16(22)13-5-4-11(9-14(13)17(20)23)15(21)19-8-6-12(18)10-19/h4-5,9,12H,2-3,6-8,10,18H2,1H3/t12-/m1/s1
InChIKeyDYZIASHKZOIFTR-GFCCVEGCSA-N
XLogP1.26
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.26
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-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940
2-butyl-5-[4-(ethylaminomethyl)piperidine-1-carbonyl]isoindole-1,3-dione;hydrochloride
CID 119647488
2-butyl-5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55556726
2-butyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 112799563
2-butyl-5-[4-(3-methylbutyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55848519
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
2-butyl-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]isoindole-1,3-dione
CID 75392247
5-(3-aminopiperidine-1-carbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 119378309
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119413337
5-(3-aminopiperidine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione
CID 119379822

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione?
The IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione (CID 119412569) is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione is CCCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N)C3)cc2C1=O.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione?
The InChIKey is DYZIASHKZOIFTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-3-7-20-16(22)13-5-4-11(9-14(13)17(20)23)15(21)19-8-6-12(18)10-19/h4-5,9,12H,2-3,6-8,10,18H2,1H3/t12-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione?
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione has a molecular weight of 315.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione is sourced from PubChem (CID 119412569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).