2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid

C6H9NO2 — CID 20528910

IUPAC2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid
SMILESO=C(O)CC1=NCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)4-5-2-1-3-7-5/h1-4H2,(H,8,9)
InChIKeyOTYLZICRJHBIBI-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.70
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid

2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid (PubChem CID 20528910) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid
PubChem CID20528910
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid
SMILESO=C(O)CC1=NCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)4-5-2-1-3-7-5/h1-4H2,(H,8,9)
InChIKeyOTYLZICRJHBIBI-UHFFFAOYSA-N
XLogP0.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid (CID 20528910) is 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid is O=C(O)CC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid?
The InChIKey is OTYLZICRJHBIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)4-5-2-1-3-7-5/h1-4H2,(H,8,9).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid?
2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid has a molecular weight of 127.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-yl)acetic acid is sourced from PubChem (CID 20528910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).