N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C19H30ClN3O2 — CID 119598604

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)10-19(3,13-20)21-18(24)16-9-17(23)22(12-16)11-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H
InChIKeyTZVILAQYBYMYMP-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.34
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119598604) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119598604
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)10-19(3,13-20)21-18(24)16-9-17(23)22(12-16)11-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H
InChIKeyTZVILAQYBYMYMP-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 43074328
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119599238
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119600411
N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119598604) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is TZVILAQYBYMYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)10-19(3,13-20)21-18(24)16-9-17(23)22(12-16)11-15-7-5-4-6-8-15;/h4-8,14,16H,9-13,20H2,1-3H3,(H,21,24);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119598604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).