2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C18H24N2O3 — CID 164689522

IUPAC2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCC[C@]3(CCC[C@H]3O)C1)CCC2
InChIInChI=1S/C18H24N2O3/c21-15-6-2-7-18(15)8-3-9-20(11-18)16-13(17(22)23)10-12-4-1-5-14(12)19-16/h10,15,21H,1-9,11H2,(H,22,23)/t15-,18-/m1/s1
InChIKeyPNCQZFXNFLPHLM-CRAIPNDOSA-N
MW316.40 g/mol
LogP2.40
Rot. Bonds2

About 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 164689522) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID164689522
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCC[C@]3(CCC[C@H]3O)C1)CCC2
InChIInChI=1S/C18H24N2O3/c21-15-6-2-7-18(15)8-3-9-20(11-18)16-13(17(22)23)10-12-4-1-5-14(12)19-16/h10,15,21H,1-9,11H2,(H,22,23)/t15-,18-/m1/s1
InChIKeyPNCQZFXNFLPHLM-CRAIPNDOSA-N
XLogP2.40
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221
2-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885525
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885523
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115562370
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 164691394
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106316899
2-(2-methylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62711881
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
2-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 70765515
2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62703000
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702331

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 164689522) is 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N1CCC[C@]3(CCC[C@H]3O)C1)CCC2.
What is the InChIKey of 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PNCQZFXNFLPHLM-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-15-6-2-7-18(15)8-3-9-20(11-18)16-13(17(22)23)10-12-4-1-5-14(12)19-16/h10,15,21H,1-9,11H2,(H,22,23)/t15-,18-/m1/s1.
What are the key properties of 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 164689522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).