2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid

C9H11NO2 — CID 83905454

IUPAC2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2c[nH]cc21
InChIInChI=1S/C9H11NO2/c11-9(12)3-6-1-2-7-4-10-5-8(6)7/h4-6,10H,1-3H2,(H,11,12)
InChIKeyXKBQLRZPPSUFKA-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.52
Rot. Bonds2

About 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid

2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid (PubChem CID 83905454) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid
PubChem CID83905454
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid
SMILESO=C(O)CC1CCc2c[nH]cc21
InChIInChI=1S/C9H11NO2/c11-9(12)3-6-1-2-7-4-10-5-8(6)7/h4-6,10H,1-3H2,(H,11,12)
InChIKeyXKBQLRZPPSUFKA-UHFFFAOYSA-N
XLogP1.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid?
The IUPAC name of 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid (CID 83905454) is 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid.
What is the SMILES notation for 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid?
The canonical SMILES for 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid is O=C(O)CC1CCc2c[nH]cc21.
What is the InChIKey of 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid?
The InChIKey is XKBQLRZPPSUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9(12)3-6-1-2-7-4-10-5-8(6)7/h4-6,10H,1-3H2,(H,11,12).
What are the key properties of 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid?
2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl)acetic acid is sourced from PubChem (CID 83905454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).