2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride

C15H22ClN3O — CID 119933929

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C15H21N3O.ClH/c16-13-6-7-18(9-13)10-15(19)17-14-5-4-11-2-1-3-12(11)8-14;/h4-5,8,13H,1-3,6-7,9-10,16H2,(H,17,19);1H/t13-;/m0./s1
InChIKeyUBTRBLOOTJUUQD-ZOWNYOTGSA-N
MW295.81 g/mol
LogP1.57
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride (PubChem CID 119933929) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride
PubChem CID119933929
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C15H21N3O.ClH/c16-13-6-7-18(9-13)10-15(19)17-14-5-4-11-2-1-3-12(11)8-14;/h4-5,8,13H,1-3,6-7,9-10,16H2,(H,17,19);1H/t13-;/m0./s1
InChIKeyUBTRBLOOTJUUQD-ZOWNYOTGSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81492316
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119933876
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-(2,3-dihydro-1H-inden-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2634511

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride (CID 119933929) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride is Cl.N[C@H]1CCN(CC(=O)Nc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride?
The InChIKey is UBTRBLOOTJUUQD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c16-13-6-7-18(9-13)10-15(19)17-14-5-4-11-2-1-3-12(11)8-14;/h4-5,8,13H,1-3,6-7,9-10,16H2,(H,17,19);1H/t13-;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119933929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).