3-(1H-pyrrol-3-yl)propanoic acid

C7H9NO2 — CID 22135411

IUPAC3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc[nH]c1
InChIInChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10)
InChIKeyRJYXUUHRYSSIKQ-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.03
Rot. Bonds3

About 3-(1H-pyrrol-3-yl)propanoic acid

3-(1H-pyrrol-3-yl)propanoic acid (PubChem CID 22135411) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-pyrrol-3-yl)propanoic acid
PubChem CID22135411
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-(1H-pyrrol-3-yl)propanoic acid
SMILESO=C(O)CCc1cc[nH]c1
InChIInChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10)
InChIKeyRJYXUUHRYSSIKQ-UHFFFAOYSA-N
XLogP1.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 3-(1H-pyrrol-3-yl)propanoic acid (CID 22135411) is 3-(1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 3-(1H-pyrrol-3-yl)propanoic acid is O=C(O)CCc1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrol-3-yl)propanoic acid?
The InChIKey is RJYXUUHRYSSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10).
What are the key properties of 3-(1H-pyrrol-3-yl)propanoic acid?
3-(1H-pyrrol-3-yl)propanoic acid has a molecular weight of 139.15 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 22135411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).