2-(5-amino-1H-pyrrol-2-yl)acetic acid

C6H8N2O2 — CID 142826265

IUPAC2-(5-amino-1H-pyrrol-2-yl)acetic acid
SMILESNc1ccc(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c7-5-2-1-4(8-5)3-6(9)10/h1-2,8H,3,7H2,(H,9,10)
InChIKeyQCBXFDFMOAGLQR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.22
Rot. Bonds2

About 2-(5-amino-1H-pyrrol-2-yl)acetic acid

2-(5-amino-1H-pyrrol-2-yl)acetic acid (PubChem CID 142826265) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-1H-pyrrol-2-yl)acetic acid
PubChem CID142826265
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(5-amino-1H-pyrrol-2-yl)acetic acid
SMILESNc1ccc(CC(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c7-5-2-1-4(8-5)3-6(9)10/h1-2,8H,3,7H2,(H,9,10)
InChIKeyQCBXFDFMOAGLQR-UHFFFAOYSA-N
XLogP0.22
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(5-amino-1H-pyrrol-2-yl)acetic acid (CID 142826265) is 2-(5-amino-1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(5-amino-1H-pyrrol-2-yl)acetic acid is Nc1ccc(CC(=O)O)[nH]1.
What is the InChIKey of 2-(5-amino-1H-pyrrol-2-yl)acetic acid?
The InChIKey is QCBXFDFMOAGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-5-2-1-4(8-5)3-6(9)10/h1-2,8H,3,7H2,(H,9,10).
What are the key properties of 2-(5-amino-1H-pyrrol-2-yl)acetic acid?
2-(5-amino-1H-pyrrol-2-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 142826265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).