2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid

C11H15N3O2 — CID 82392376

IUPAC2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESNc1nc2c(c(C(=O)O)c1N)CCCCC2
InChIInChI=1S/C11H15N3O2/c12-9-8(11(15)16)6-4-2-1-3-5-7(6)14-10(9)13/h1-5,12H2,(H2,13,14)(H,15,16)
InChIKeySGAICQSYDBBXKV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.21
Rot. Bonds1

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

2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid (PubChem CID 82392376) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
PubChem CID82392376
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
SMILESNc1nc2c(c(C(=O)O)c1N)CCCCC2
InChIInChI=1S/C11H15N3O2/c12-9-8(11(15)16)6-4-2-1-3-5-7(6)14-10(9)13/h1-5,12H2,(H2,13,14)(H,15,16)
InChIKeySGAICQSYDBBXKV-UHFFFAOYSA-N
XLogP1.21
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82624226
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
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
CID 29279345
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
2-bromo-3-fluoro-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462003
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 55192211

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The IUPAC name of 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid (CID 82392376) is 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid is Nc1nc2c(c(C(=O)O)c1N)CCCCC2.
What is the InChIKey of 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
The InChIKey is SGAICQSYDBBXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-8(11(15)16)6-4-2-1-3-5-7(6)14-10(9)13/h1-5,12H2,(H2,13,14)(H,15,16).
What are the key properties of 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid?
2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82392376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).