(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid

C9H15NO2 — CID 178194493

IUPAC(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
InChIInChI=1S/C9H15NO2/c11-9(12)8-2-1-6-5-10-4-3-7(6)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
InChIKeyVWBIIXZVCHNXAX-RNJXMRFFSA-N
MW169.22 g/mol
LogP0.71
Rot. Bonds1

About (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid

(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid (PubChem CID 178194493) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
PubChem CID178194493
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
InChIInChI=1S/C9H15NO2/c11-9(12)8-2-1-6-5-10-4-3-7(6)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
InChIKeyVWBIIXZVCHNXAX-RNJXMRFFSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid with MolForge

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Related Compounds

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CID 84769140
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CID 66594649
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CID 55279783
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
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(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
4-azabicyclo[5.1.0]octane-8-carboxylic acid
CID 82416387
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R,6R)-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-dicarboxylic acid
CID 94037473
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CID 18691683

Frequently Asked Questions

What is the IUPAC name of (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid?
The IUPAC name of (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid (CID 178194493) is (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid.
What is the SMILES notation for (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid?
The canonical SMILES for (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid is O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21.
What is the InChIKey of (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid?
The InChIKey is VWBIIXZVCHNXAX-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)8-2-1-6-5-10-4-3-7(6)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1.
What are the key properties of (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid?
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid is sourced from PubChem (CID 178194493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).