3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride

C13H19Cl2N3O — CID 119905402

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
SMILESCl.N[C@@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O.ClH/c14-10-2-1-3-12(8-10)16-13(18)5-7-17-6-4-11(15)9-17;/h1-3,8,11H,4-7,9,15H2,(H,16,18);1H/t11-;/m1./s1
InChIKeyGKTLYFDIDWRPKS-RFVHGSKJSA-N
MW304.22 g/mol
LogP2.12
Rot. Bonds4

About 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride

3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 119905402) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
PubChem CID119905402
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
SMILESCl.N[C@@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClN3O.ClH/c14-10-2-1-3-12(8-10)16-13(18)5-7-17-6-4-11(15)9-17;/h1-3,8,11H,4-7,9,15H2,(H,16,18);1H/t11-;/m1./s1
InChIKeyGKTLYFDIDWRPKS-RFVHGSKJSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
3-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-chlorophenyl)propanamide
CID 114961218
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
CID 124749868

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride (CID 119905402) is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride is Cl.N[C@@H]1CCN(CCC(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is GKTLYFDIDWRPKS-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H18ClN3O.ClH/c14-10-2-1-3-12(8-10)16-13(18)5-7-17-6-4-11(15)9-17;/h1-3,8,11H,4-7,9,15H2,(H,16,18);1H/t11-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride?
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119905402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).