6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid

C17H26N2O4 — CID 119220023

IUPAC6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
SMILESCCCc1c(C(=O)NCCCCCC(=O)O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H26N2O4/c1-4-8-13-15(12(3)20)11(2)19-16(13)17(23)18-10-7-5-6-9-14(21)22/h19H,4-10H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyNQJOSVBJODVXTH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.85
Rot. Bonds10

About 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid

6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid (PubChem CID 119220023) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
PubChem CID119220023
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
SMILESCCCc1c(C(=O)NCCCCCC(=O)O)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H26N2O4/c1-4-8-13-15(12(3)20)11(2)19-16(13)17(23)18-10-7-5-6-9-14(21)22/h19H,4-10H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyNQJOSVBJODVXTH-UHFFFAOYSA-N
XLogP2.85
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-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

4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 119432269
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119232908
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-5-methyl-N-[3-(3-methylphenoxy)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 55822054
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
7-[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350682
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]hexanoic acid
CID 43238441
(2S)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 120614754
5-[(5-bromo-2,4-dimethylfuran-3-carbonyl)amino]pentanoic acid
CID 166277044
10-(ethylamino)decanoic acid
CID 57308942

Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid (CID 119220023) is 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid is CCCc1c(C(=O)NCCCCCC(=O)O)[nH]c(C)c1C(C)=O.
What is the InChIKey of 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid?
The InChIKey is NQJOSVBJODVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-8-13-15(12(3)20)11(2)19-16(13)17(23)18-10-7-5-6-9-14(21)22/h19H,4-10H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid?
6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 119220023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).