methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate

C10H12N2O2 — CID 115018976

IUPACmethyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1c(N)cnc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)9-6-3-2-4-8(6)12-5-7(9)11/h5H,2-4,11H2,1H3
InChIKeyGYZLHAMBVOZYES-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.94
Rot. Bonds1

About methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate

methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 115018976) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
PubChem CID115018976
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
SMILESCOC(=O)c1c(N)cnc2c1CCC2
InChIInChI=1S/C10H12N2O2/c1-14-10(13)9-6-3-2-4-8(6)12-5-7(9)11/h5H,2-4,11H2,1H3
InChIKeyGYZLHAMBVOZYES-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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Related Compounds

methyl 3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 131335011
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11521576
methyl 5-amino-2-ethyl-3-methylpyridine-4-carboxylate
CID 115019771
methyl 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate
CID 89272080
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 131589354
[(3R,4S,5S)-1-(3-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-hydroxy-5-methylpiperidin-3-yl]carbamic acid
CID 90279583
methyl 3-amino-7-methylquinoline-4-carboxylate
CID 115029491
methyl 17-azabicyclo[14.2.2]icosa-1(19),16(20),17-triene-20-carboxylate
CID 101083824
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
CID 86171458
4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 23008697
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate (CID 115018976) is methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate is COC(=O)c1c(N)cnc2c1CCC2.
What is the InChIKey of methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
The InChIKey is GYZLHAMBVOZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)9-6-3-2-4-8(6)12-5-7(9)11/h5H,2-4,11H2,1H3.
What are the key properties of methyl 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate?
methyl 3-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 3-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 115018976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).