2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H22N2O2 — CID 62701660

IUPAC2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)C(C)N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H22N2O2/c1-9(2)10(3)17(4)14-12(15(18)19)8-11-6-5-7-13(11)16-14/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyGPEIASYUJXWMQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.75
Rot. Bonds4

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

2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62701660) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62701660
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)C(C)N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H22N2O2/c1-9(2)10(3)17(4)14-12(15(18)19)8-11-6-5-7-13(11)16-14/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyGPEIASYUJXWMQE-UHFFFAOYSA-N
XLogP2.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
2-[2-methylpropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703046
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103191853
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55125729
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701508
2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62701328
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701830
2-(3-methylbutan-2-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 107757944
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703012

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62701660) is 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(C)C(C)N(C)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is GPEIASYUJXWMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)10(3)17(4)14-12(15(18)19)8-11-6-5-7-13(11)16-14/h8-10H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).