2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H24N2O3 — CID 106149536

IUPAC2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)(CCCO)CNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H24N2O3/c1-16(2,7-4-8-19)10-17-14-12(15(20)21)9-11-5-3-6-13(11)18-14/h9,19H,3-8,10H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyJVACMPGYOZJQSZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds7

About 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 106149536) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID106149536
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)(CCCO)CNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C16H24N2O3/c1-16(2,7-4-8-19)10-17-14-12(15(20)21)9-11-5-3-6-13(11)18-14/h9,19H,3-8,10H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyJVACMPGYOZJQSZ-UHFFFAOYSA-N
XLogP2.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 106149536) is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(C)(CCCO)CNc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is JVACMPGYOZJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,7-4-8-19)10-17-14-12(15(20)21)9-11-5-3-6-13(11)18-14/h9,19H,3-8,10H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 106149536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).