dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium

C17H26N3O2+ — CID 9350809

IUPACdimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
SMILESCc1ccccc1N1C[C@@H](C(=O)NCCC[NH+](C)C)CC1=O
InChIInChI=1S/C17H25N3O2/c1-13-7-4-5-8-15(13)20-12-14(11-16(20)21)17(22)18-9-6-10-19(2)3/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1
InChIKeySVXOJDYXRWOFIY-AWEZNQCLSA-O
MW304.41 g/mol
LogP-0.00
Rot. Bonds6

About dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium

dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium (PubChem CID 9350809) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
PubChem CID9350809
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Namedimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
SMILESCc1ccccc1N1C[C@@H](C(=O)NCCC[NH+](C)C)CC1=O
InChIInChI=1S/C17H25N3O2/c1-13-7-4-5-8-15(13)20-12-14(11-16(20)21)17(22)18-9-6-10-19(2)3/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1
InChIKeySVXOJDYXRWOFIY-AWEZNQCLSA-O
XLogP-0.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080703
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
3-[[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9351895
1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 17080666
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9351066
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium?
The IUPAC name of dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium (CID 9350809) is dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium is Cc1ccccc1N1C[C@@H](C(=O)NCCC[NH+](C)C)CC1=O.
What is the InChIKey of dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium?
The InChIKey is SVXOJDYXRWOFIY-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-13-7-4-5-8-15(13)20-12-14(11-16(20)21)17(22)18-9-6-10-19(2)3/h4-5,7-8,14H,6,9-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1.
What are the key properties of dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium?
dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium has a molecular weight of 304.41 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium is sourced from PubChem (CID 9350809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).