methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate

C10H12N2O2 — CID 89272080

IUPACmethyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)7-5-9(11)12-8-4-2-3-6(7)8/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyPAYOTKCHIZXAJA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.94
Rot. Bonds1

About methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate

methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 89272080) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
PubChem CID89272080
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)7-5-9(11)12-8-4-2-3-6(7)8/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyPAYOTKCHIZXAJA-UHFFFAOYSA-N
XLogP0.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate (CID 89272080) is methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate is COC(=O)c1cc(N)nc2c1CCC2.
What is the InChIKey of methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The InChIKey is PAYOTKCHIZXAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)7-5-9(11)12-8-4-2-3-6(7)8/h5H,2-4H2,1H3,(H2,11,12).
What are the key properties of methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 89272080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).