3-(5-oxo-2H-pyrrol-1-yl)propanoic acid

C7H9NO3 — CID 89159333

IUPAC3-(5-oxo-2H-pyrrol-1-yl)propanoic acid
SMILESO=C(O)CCN1CC=CC1=O
InChIInChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-2H,3-5H2,(H,10,11)
InChIKeyBAYCBYFWFTWVRU-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.14
Rot. Bonds3

About 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid

3-(5-oxo-2H-pyrrol-1-yl)propanoic acid (PubChem CID 89159333) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-oxo-2H-pyrrol-1-yl)propanoic acid
PubChem CID89159333
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(5-oxo-2H-pyrrol-1-yl)propanoic acid
SMILESO=C(O)CCN1CC=CC1=O
InChIInChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-2H,3-5H2,(H,10,11)
InChIKeyBAYCBYFWFTWVRU-UHFFFAOYSA-N
XLogP-0.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid (CID 89159333) is 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid is O=C(O)CCN1CC=CC1=O.
What is the InChIKey of 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid?
The InChIKey is BAYCBYFWFTWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-2H,3-5H2,(H,10,11).
What are the key properties of 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid?
3-(5-oxo-2H-pyrrol-1-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2H-pyrrol-1-yl)propanoic acid is sourced from PubChem (CID 89159333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).