7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid

C14H22N2O3 — CID 28791167

IUPAC7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)n1C
InChIInChI=1S/C14H22N2O3/c1-11-8-9-12(16(11)2)14(19)15-10-6-4-3-5-7-13(17)18/h8-9H,3-7,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHTZDOUCHRSUZSE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.10
Rot. Bonds8

About 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid

7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid (PubChem CID 28791167) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
PubChem CID28791167
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)n1C
InChIInChI=1S/C14H22N2O3/c1-11-8-9-12(16(11)2)14(19)15-10-6-4-3-5-7-13(17)18/h8-9H,3-7,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHTZDOUCHRSUZSE-UHFFFAOYSA-N
XLogP2.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
CID 120525358
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626

Frequently Asked Questions

What is the IUPAC name of 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid (CID 28791167) is 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid is Cc1ccc(C(=O)NCCCCCCC(=O)O)n1C.
What is the InChIKey of 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid?
The InChIKey is HTZDOUCHRSUZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-8-9-12(16(11)2)14(19)15-10-6-4-3-5-7-13(17)18/h8-9H,3-7,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid?
7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 28791167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).