3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid

C15H22N2O2 — CID 82624226

IUPAC3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1nc2c(c(C(=O)O)c1N)CCCCC2
InChIInChI=1S/C15H22N2O2/c1-9(2)8-12-14(16)13(15(18)19)10-6-4-3-5-7-11(10)17-12/h9H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyVWIZFAMHCHCBDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid

3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid (PubChem CID 82624226) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
PubChem CID82624226
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1nc2c(c(C(=O)O)c1N)CCCCC2
InChIInChI=1S/C15H22N2O2/c1-9(2)8-12-14(16)13(15(18)19)10-6-4-3-5-7-11(10)17-12/h9H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyVWIZFAMHCHCBDU-UHFFFAOYSA-N
XLogP2.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82392376
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461
3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82381467
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462653
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
[2-oxo-2-(propan-2-ylamino)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626930
2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82396272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid (CID 82624226) is 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid is CC(C)Cc1nc2c(c(C(=O)O)c1N)CCCCC2.
What is the InChIKey of 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The InChIKey is VWIZFAMHCHCBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)8-12-14(16)13(15(18)19)10-6-4-3-5-7-11(10)17-12/h9H,3-8,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82624226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).