2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide

C13H19N3O — CID 103576964

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
SMILESCC1CN(CC(=O)Nc2ccccc2)CC1N
InChIInChI=1S/C13H19N3O/c1-10-7-16(8-12(10)14)9-13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyRWMIAYFNOQDWBI-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide (PubChem CID 103576964) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
PubChem CID103576964
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide
SMILESCC1CN(CC(=O)Nc2ccccc2)CC1N
InChIInChI=1S/C13H19N3O/c1-10-7-16(8-12(10)14)9-13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyRWMIAYFNOQDWBI-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 103576642
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 120760845
2-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-ethoxyphenoxy]-N-phenylacetamide;hydrochloride
CID 120909016
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
CID 103576816
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576790
1-[2-(3-chloroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720544
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 103577312

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide (CID 103576964) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide is CC1CN(CC(=O)Nc2ccccc2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide?
The InChIKey is RWMIAYFNOQDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-7-16(8-12(10)14)9-13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide has a molecular weight of 233.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 103576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).