2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid

C16H22N2O3 — CID 75429183

IUPAC2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAQZUGUVAYYYOIJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 75429183) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID75429183
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAQZUGUVAYYYOIJ-UHFFFAOYSA-N
XLogP2.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid (CID 75429183) is 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid is Cc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1.
What is the InChIKey of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is AQZUGUVAYYYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 75429183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).