2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid

C13H18N2O3 — CID 64604559

IUPAC2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid
SMILESCC(C)n1cccc1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-9(2)15-5-3-4-11(15)13(18)14-7-10(8-14)6-12(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyAKZXZNUYIWIYGX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604559) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604559
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid
SMILESCC(C)n1cccc1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H18N2O3/c1-9(2)15-5-3-4-11(15)13(18)14-7-10(8-14)6-12(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyAKZXZNUYIWIYGX-UHFFFAOYSA-N
XLogP1.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid (CID 64604559) is 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid is CC(C)n1cccc1C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is AKZXZNUYIWIYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)15-5-3-4-11(15)13(18)14-7-10(8-14)6-12(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).