6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid

C19H26N2O4 — CID 75383687

IUPAC6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCC1(C(=O)NCCCCCC(=O)O)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(18(25)20-13-7-3-6-11-16(22)23)12-8-14-21(19)17(24)15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,20,25)(H,22,23)
InChIKeyQQTKNGWXERREDL-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.44
Rot. Bonds8

About 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid

6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid (PubChem CID 75383687) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
PubChem CID75383687
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCC1(C(=O)NCCCCCC(=O)O)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4/c1-19(18(25)20-13-7-3-6-11-16(22)23)12-8-14-21(19)17(24)15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,20,25)(H,22,23)
InChIKeyQQTKNGWXERREDL-UHFFFAOYSA-N
XLogP2.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(1-benzoyl-2-methylpyrrolidine-2-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

N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide
CID 46943553
methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate
CID 134859974
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid (CID 75383687) is 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid is CC1(C(=O)NCCCCCC(=O)O)CCCN1C(=O)c1ccccc1.
What is the InChIKey of 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is QQTKNGWXERREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(18(25)20-13-7-3-6-11-16(22)23)12-8-14-21(19)17(24)15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid?
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 75383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).