2-(pyrrol-1-ylamino)acetic acid

C6H8N2O2 — CID 56625967

IUPAC2-(pyrrol-1-ylamino)acetic acid
SMILESO=C(O)CNn1cccc1
InChIInChI=1S/C6H8N2O2/c9-6(10)5-7-8-3-1-2-4-8/h1-4,7H,5H2,(H,9,10)
InChIKeyPLOAFFHVUUUYGA-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.12
Rot. Bonds3

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

2-(pyrrol-1-ylamino)acetic acid (PubChem CID 56625967) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(pyrrol-1-ylamino)acetic acid.

Molecular Properties

Compound Name2-(pyrrol-1-ylamino)acetic acid
PubChem CID56625967
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(pyrrol-1-ylamino)acetic acid
SMILESO=C(O)CNn1cccc1
InChIInChI=1S/C6H8N2O2/c9-6(10)5-7-8-3-1-2-4-8/h1-4,7H,5H2,(H,9,10)
InChIKeyPLOAFFHVUUUYGA-UHFFFAOYSA-N
XLogP0.12
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.12
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)acetic acid?
The IUPAC name of 2-(pyrrol-1-ylamino)acetic acid (CID 56625967) is 2-(pyrrol-1-ylamino)acetic acid.
What is the SMILES notation for 2-(pyrrol-1-ylamino)acetic acid?
The canonical SMILES for 2-(pyrrol-1-ylamino)acetic acid is O=C(O)CNn1cccc1.
What is the InChIKey of 2-(pyrrol-1-ylamino)acetic acid?
The InChIKey is PLOAFFHVUUUYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6(10)5-7-8-3-1-2-4-8/h1-4,7H,5H2,(H,9,10).
What are the key properties of 2-(pyrrol-1-ylamino)acetic acid?
2-(pyrrol-1-ylamino)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.12, 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)acetic acid is sourced from PubChem (CID 56625967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).