3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid

C10H12N2O3 — CID 82395461

IUPAC3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1nc2c(c(C(=O)O)c1N)CCC2
InChIInChI=1S/C10H12N2O3/c1-15-9-8(11)7(10(13)14)5-3-2-4-6(5)12-9/h2-4,11H2,1H3,(H,13,14)
InChIKeyKEKUNDGHYMRKMN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.86
Rot. Bonds2

About 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid

3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 82395461) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID82395461
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1nc2c(c(C(=O)O)c1N)CCC2
InChIInChI=1S/C10H12N2O3/c1-15-9-8(11)7(10(13)14)5-3-2-4-6(5)12-9/h2-4,11H2,1H3,(H,13,14)
InChIKeyKEKUNDGHYMRKMN-UHFFFAOYSA-N
XLogP0.86
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 82395461) is 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid is COc1nc2c(c(C(=O)O)c1N)CCC2.
What is the InChIKey of 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is KEKUNDGHYMRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-9-8(11)7(10(13)14)5-3-2-4-6(5)12-9/h2-4,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82395461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).