2-(1H-pyrrol-2-yl)propanoic acid

C7H9NO2 — CID 13220937

IUPAC2-(1H-pyrrol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C7H9NO2/c1-5(7(9)10)6-3-2-4-8-6/h2-5,8H,1H3,(H,9,10)
InChIKeyXVADBVDFWCEBLZ-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.20
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)propanoic acid

2-(1H-pyrrol-2-yl)propanoic acid (PubChem CID 13220937) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)propanoic acid
PubChem CID13220937
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(1H-pyrrol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C7H9NO2/c1-5(7(9)10)6-3-2-4-8-6/h2-5,8H,1H3,(H,9,10)
InChIKeyXVADBVDFWCEBLZ-UHFFFAOYSA-N
XLogP1.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)propanoic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)propanoic acid (CID 13220937) is 2-(1H-pyrrol-2-yl)propanoic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)propanoic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)propanoic acid is CC(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)propanoic acid?
The InChIKey is XVADBVDFWCEBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(7(9)10)6-3-2-4-8-6/h2-5,8H,1H3,(H,9,10).
What are the key properties of 2-(1H-pyrrol-2-yl)propanoic acid?
2-(1H-pyrrol-2-yl)propanoic acid has a molecular weight of 139.15 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 13220937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).