2-(pyrrol-1-ylamino)propanoic acid

C7H10N2O2 — CID 18951374

IUPAC2-(pyrrol-1-ylamino)propanoic acid
SMILESCC(Nn1cccc1)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-6(7(10)11)8-9-4-2-3-5-9/h2-6,8H,1H3,(H,10,11)
InChIKeyAXFDJFJZJKGTHR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.50
Rot. Bonds3

About 2-(pyrrol-1-ylamino)propanoic acid

2-(pyrrol-1-ylamino)propanoic acid (PubChem CID 18951374) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)propanoic acid
PubChem CID18951374
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(pyrrol-1-ylamino)propanoic acid
SMILESCC(Nn1cccc1)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-6(7(10)11)8-9-4-2-3-5-9/h2-6,8H,1H3,(H,10,11)
InChIKeyAXFDJFJZJKGTHR-UHFFFAOYSA-N
XLogP0.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylamino)propanoic acid?
The IUPAC name of 2-(pyrrol-1-ylamino)propanoic acid (CID 18951374) is 2-(pyrrol-1-ylamino)propanoic acid.
What is the SMILES notation for 2-(pyrrol-1-ylamino)propanoic acid?
The canonical SMILES for 2-(pyrrol-1-ylamino)propanoic acid is CC(Nn1cccc1)C(=O)O.
What is the InChIKey of 2-(pyrrol-1-ylamino)propanoic acid?
The InChIKey is AXFDJFJZJKGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(7(10)11)8-9-4-2-3-5-9/h2-6,8H,1H3,(H,10,11).
What are the key properties of 2-(pyrrol-1-ylamino)propanoic acid?
2-(pyrrol-1-ylamino)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylamino)propanoic acid is sourced from PubChem (CID 18951374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).