2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid

C9H15NO2 — CID 18335043

IUPAC2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
SMILESO=C(O)CC12CCCC1CNC2
InChIInChI=1S/C9H15NO2/c11-8(12)4-9-3-1-2-7(9)5-10-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyWWNDWXDKPDXBEN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds2

About 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid

2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid (PubChem CID 18335043) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
PubChem CID18335043
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid
SMILESO=C(O)CC12CCCC1CNC2
InChIInChI=1S/C9H15NO2/c11-8(12)4-9-3-1-2-7(9)5-10-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyWWNDWXDKPDXBEN-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ylmethanol
CID 75193259
[(3aR,7aR)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanol;hydrochloride
CID 55282198
[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroisoindol-3a-yl]methanamine
CID 155095679
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
CID 19833406
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
CID 19833400
(1R,5S,9S)-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 131096610
(3-cyclopentylpyrrolidin-3-yl)methanol
CID 82945260
(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679184
2-(3-cyclopropylthian-3-yl)acetic acid
CID 83819300
1,2,3,4,5,6,7,7a-octahydroisoindol-3a-ol
CID 70541295
(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679190
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid?
The IUPAC name of 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid (CID 18335043) is 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid.
What is the SMILES notation for 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid?
The canonical SMILES for 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid is O=C(O)CC12CCCC1CNC2.
What is the InChIKey of 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid?
The InChIKey is WWNDWXDKPDXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)4-9-3-1-2-7(9)5-10-6-9/h7,10H,1-6H2,(H,11,12).
What are the key properties of 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid?
2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl)acetic acid is sourced from PubChem (CID 18335043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).