6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

C18H24N2O4 — CID 108793604

IUPAC6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESCc1ccc(N2CC(C(=O)NCCCCCC(=O)O)CC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-13-6-8-15(9-7-13)20-12-14(11-16(20)21)18(24)19-10-4-2-3-5-17(22)23/h6-9,14H,2-5,10-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyGPIJPCCUWIRQKZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.11
Rot. Bonds8

About 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (PubChem CID 108793604) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
PubChem CID108793604
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESCc1ccc(N2CC(C(=O)NCCCCCC(=O)O)CC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-13-6-8-15(9-7-13)20-12-14(11-16(20)21)18(24)19-10-4-2-3-5-17(22)23/h6-9,14H,2-5,10-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyGPIJPCCUWIRQKZ-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid 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

1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
5-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234133
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
7-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 120524006
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
methyl 6-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoate
CID 42884055
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (CID 108793604) is 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is Cc1ccc(N2CC(C(=O)NCCCCCC(=O)O)CC2=O)cc1.
What is the InChIKey of 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The InChIKey is GPIJPCCUWIRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-6-8-15(9-7-13)20-12-14(11-16(20)21)18(24)19-10-4-2-3-5-17(22)23/h6-9,14H,2-5,10-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 108793604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).