methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate

C13H18N2O3 — CID 158116038

IUPACmethyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CCC[C@@H]2C)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-3-5-10(8)18-11-6-9(13(16)17-2)7-15-12(11)14/h6-8,10H,3-5H2,1-2H3,(H2,14,15)/t8-,10-/m0/s1
InChIKeyFQZYMIXMGALZHR-WPRPVWTQSA-N
MW250.30 g/mol
LogP2.02
Rot. Bonds3

About methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate

methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate (PubChem CID 158116038) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
PubChem CID158116038
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(O[C@H]2CCC[C@@H]2C)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-3-5-10(8)18-11-6-9(13(16)17-2)7-15-12(11)14/h6-8,10H,3-5H2,1-2H3,(H2,14,15)/t8-,10-/m0/s1
InChIKeyFQZYMIXMGALZHR-WPRPVWTQSA-N
XLogP2.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
CID 169224427
methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868316
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate
CID 114074875
methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 167714378
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
methyl 3-amino-5-cyclopropyloxypyridine-2-carboxylate
CID 169231845
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
CID 117053281
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
5-amino-6-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81439379
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate (CID 158116038) is methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate is COC(=O)c1cnc(N)c(O[C@H]2CCC[C@@H]2C)c1.
What is the InChIKey of methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate?
The InChIKey is FQZYMIXMGALZHR-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-3-5-10(8)18-11-6-9(13(16)17-2)7-15-12(11)14/h6-8,10H,3-5H2,1-2H3,(H2,14,15)/t8-,10-/m0/s1.
What are the key properties of methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate?
methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate is sourced from PubChem (CID 158116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).