3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one

C16H23ClN2O — CID 143059775

IUPAC3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H]1CCCN1C(=O)CC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-15-7-4-8-19(15)16(20)11-14(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14-15H,2,4,7-8,10-11,18H2,1H3/t14?,15-/m1/s1
InChIKeySTTILYBUOAXFKQ-YSSOQSIOSA-N
MW294.83 g/mol
LogP3.00
Rot. Bonds5

About 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one

3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one (PubChem CID 143059775) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
PubChem CID143059775
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
SMILESCC[C@@H]1CCCN1C(=O)CC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-15-7-4-8-19(15)16(20)11-14(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14-15H,2,4,7-8,10-11,18H2,1H3/t14?,15-/m1/s1
InChIKeySTTILYBUOAXFKQ-YSSOQSIOSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 42608447
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
N-[[(2S)-1-[(3R)-3-amino-4-(3-methylphenyl)butanoyl]pyrrolidin-2-yl]methyl]-N-methylcyclopropanesulfonamide
CID 71168434
1-[2-(2-bromopropyl)pyrrolidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 112748459
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2E)-N-[[(2S)-1-[3-amino-4-(3-methylphenyl)butanoyl]pyrrolidin-2-yl]methyl]-2-ethenylpenta-2,4-dienamide
CID 143059667
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
(3R)-3-amino-1-(2-benzylpyrrolidin-1-yl)-4-(2-phosphanylphenyl)butan-1-one
CID 143290719
1-(4-chlorophenyl)-4-(2-ethylpyrrolidin-1-yl)butane-1,4-dione
CID 110619138
(2S)-1-[(3R)-3-amino-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carbonitrile
CID 142948954
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one (CID 143059775) is 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one is CC[C@@H]1CCCN1C(=O)CC(N)Cc1cccc(Cl)c1.
What is the InChIKey of 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one?
The InChIKey is STTILYBUOAXFKQ-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-15-7-4-8-19(15)16(20)11-14(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14-15H,2,4,7-8,10-11,18H2,1H3/t14?,15-/m1/s1.
What are the key properties of 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one?
3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 143059775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).