7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid

C14H19NO2 — CID 116533513

IUPAC7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-8(2)11-10(13(16)17)7-9-5-6-14(3,4)12(9)15-11/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyPGWPBRNUPIVOEM-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.13
Rot. Bonds2

About 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid

7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533513) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533513
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-8(2)11-10(13(16)17)7-9-5-6-14(3,4)12(9)15-11/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyPGWPBRNUPIVOEM-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533735
6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 116533530
7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533293
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile;2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carboxylic acid
CID 167670982
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
CID 116533425
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 84722044
2-chloro-6,6-dimethyl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 171396988
5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533443
N-(diaminomethylidene)-2,8,8-trimethyl-6,7-dihydro-5H-quinoline-3-carboxamide
CID 21186755

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (CID 116533513) is 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is CC(C)c1nc2c(cc1C(=O)O)CCC2(C)C.
What is the InChIKey of 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PGWPBRNUPIVOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8(2)11-10(13(16)17)7-9-5-6-14(3,4)12(9)15-11/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).