2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid

C14H18N2O4 — CID 166270985

IUPAC2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid
SMILESCC(=O)c1c[nH]c(C(=O)N2CCCC2C(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-8(14(19)20)12-4-3-5-16(12)13(18)11-6-10(7-15-11)9(2)17/h6-8,12,15H,3-5H2,1-2H3,(H,19,20)
InChIKeyWAWREEGGONJAMF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid

2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid (PubChem CID 166270985) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid
PubChem CID166270985
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid
SMILESCC(=O)c1c[nH]c(C(=O)N2CCCC2C(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-8(14(19)20)12-4-3-5-16(12)13(18)11-6-10(7-15-11)9(2)17/h6-8,12,15H,3-5H2,1-2H3,(H,19,20)
InChIKeyWAWREEGGONJAMF-UHFFFAOYSA-N
XLogP1.54
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid (CID 166270985) is 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid is CC(=O)c1c[nH]c(C(=O)N2CCCC2C(C)C(=O)O)c1.
What is the InChIKey of 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid?
The InChIKey is WAWREEGGONJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(14(19)20)12-4-3-5-16(12)13(18)11-6-10(7-15-11)9(2)17/h6-8,12,15H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid?
2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 166270985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).