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

C9H15NO2 — CID 129413164

IUPAC(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@H]2CCC[C@@H]21
InChIInChI=1S/C9H15NO2/c11-9(12)7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1
InChIKeyKARONYXSIZOSBJ-CSMHCCOUSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds1

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

(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 129413164) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID129413164
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@H]2CCC[C@@H]21
InChIInChI=1S/C9H15NO2/c11-9(12)7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1
InChIKeyKARONYXSIZOSBJ-CSMHCCOUSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxylic acid
CID 129413165
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine-4-carboxylic acid
CID 83915881
2,3,4,4a,5,6,8,8a-octahydro-1H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 83915202
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
CID 25067678
methyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5-carboxylate
CID 12741296
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
[(4R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl] acetate
CID 11879366

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid (CID 129413164) is (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid is O=C(O)[C@H]1CCN[C@H]2CCC[C@@H]21.
What is the InChIKey of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is KARONYXSIZOSBJ-CSMHCCOUSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8+/m1/s1.
What are the key properties of (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid?
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 129413164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).