6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid

C11H19NO3 — CID 70906727

IUPAC6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
SMILESCCC1(O)CC2CCCN(C(=O)O)C2C1
InChIInChI=1S/C11H19NO3/c1-2-11(15)6-8-4-3-5-12(10(13)14)9(8)7-11/h8-9,15H,2-7H2,1H3,(H,13,14)
InChIKeyMZPVYIWEKJMJFI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.68
Rot. Bonds1

About 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid

6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid (PubChem CID 70906727) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
PubChem CID70906727
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
SMILESCCC1(O)CC2CCCN(C(=O)O)C2C1
InChIInChI=1S/C11H19NO3/c1-2-11(15)6-8-4-3-5-12(10(13)14)9(8)7-11/h8-9,15H,2-7H2,1H3,(H,13,14)
InChIKeyMZPVYIWEKJMJFI-UHFFFAOYSA-N
XLogP1.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid with MolForge

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Related Compounds

(4aS,8aS)-3,4,4a,5,8,8a-hexahydro-2H-dithiino[4,5-b]pyridine-1-carboxylic acid
CID 172767635
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 22633033
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 70398798
(2S)-1-[2-[[(3aR,6aS)-5-ethyl-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methylamino]acetyl]pyrrolidine-2-carbonitrile
CID 143550239
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111537997

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid?
The IUPAC name of 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid (CID 70906727) is 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid is CCC1(O)CC2CCCN(C(=O)O)C2C1.
What is the InChIKey of 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid?
The InChIKey is MZPVYIWEKJMJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-11(15)6-8-4-3-5-12(10(13)14)9(8)7-11/h8-9,15H,2-7H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid?
6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid is sourced from PubChem (CID 70906727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).