(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C18H27Cl2N3O2 — CID 45142001

IUPAC(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)15(20)17(24)22-9-5-8-14(22)16(23)21-11-12-6-4-7-13(19)10-12;/h4,6-7,10,14-15H,5,8-9,11,20H2,1-3H3,(H,21,23);1H/t14-,15-;/m0./s1
InChIKeyYJJQTQZJFHYZRB-YYLIZZNMSA-N
MW388.34 g/mol
LogP2.74
Rot. Bonds4

About (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 45142001) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID45142001
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)15(20)17(24)22-9-5-8-14(22)16(23)21-11-12-6-4-7-13(19)10-12;/h4,6-7,10,14-15H,5,8-9,11,20H2,1-3H3,(H,21,23);1H/t14-,15-;/m0./s1
InChIKeyYJJQTQZJFHYZRB-YYLIZZNMSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride 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 (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 45142001) is (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YJJQTQZJFHYZRB-YYLIZZNMSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)15(20)17(24)22-9-5-8-14(22)16(23)21-11-12-6-4-7-13(19)10-12;/h4,6-7,10,14-15H,5,8-9,11,20H2,1-3H3,(H,21,23);1H/t14-,15-;/m0./s1.
What are the key properties of (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-3,3-dimethylbutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 45142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).