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

C11H16N2O3 — CID 43469560

IUPAC2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C)n1C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-4-8(11(15)16)12-10(14)9-6-5-7(2)13(9)3/h5-6,8H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYNCAMWCKSWGLKF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.93
Rot. Bonds4

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

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 43469560) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID43469560
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C)n1C)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-4-8(11(15)16)12-10(14)9-6-5-7(2)13(9)3/h5-6,8H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYNCAMWCKSWGLKF-UHFFFAOYSA-N
XLogP0.93
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid (CID 43469560) is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1ccc(C)n1C)C(=O)O.
What is the InChIKey of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is YNCAMWCKSWGLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-8(11(15)16)12-10(14)9-6-5-7(2)13(9)3/h5-6,8H,4H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid?
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).