N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide

C15H20ClN3O2 — CID 119413561

IUPACN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C15H20ClN3O2/c1-9(2)14(20)18-11-3-4-13(16)12(7-11)15(21)19-6-5-10(17)8-19/h3-4,7,9-10H,5-6,8,17H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyDALVSERLCPIPQT-SNVBAGLBSA-N
MW309.80 g/mol
LogP2.11
Rot. Bonds3

About N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide (PubChem CID 119413561) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
PubChem CID119413561
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](N)C2)c1
InChIInChI=1S/C15H20ClN3O2/c1-9(2)14(20)18-11-3-4-13(16)12(7-11)15(21)19-6-5-10(17)8-19/h3-4,7,9-10H,5-6,8,17H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyDALVSERLCPIPQT-SNVBAGLBSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide (CID 119413561) is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](N)C2)c1.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide?
The InChIKey is DALVSERLCPIPQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(2)14(20)18-11-3-4-13(16)12(7-11)15(21)19-6-5-10(17)8-19/h3-4,7,9-10H,5-6,8,17H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide?
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide has a molecular weight of 309.80 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide is sourced from PubChem (CID 119413561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).