ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate

C14H21N2O3+ — CID 7365844

IUPACethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH+]c1N)C[C@](C)(CC)OC2
InChIInChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16)/p+1/t14-/m0/s1
InChIKeyWEWNGEFMBVMVAP-AWEZNQCLSA-O
MW265.33 g/mol
LogP1.50
Rot. Bonds3

About ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate

ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate (PubChem CID 7365844) has the molecular formula C14H21N2O3+ and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate
PubChem CID7365844
Molecular FormulaC14H21N2O3+
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH+]c1N)C[C@](C)(CC)OC2
InChIInChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16)/p+1/t14-/m0/s1
InChIKeyWEWNGEFMBVMVAP-AWEZNQCLSA-O
XLogP1.50
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate
CID 41063980
ethyl 2-(but-3-enethioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
CID 4224588
triethyl 6-methyl-1,3-dihydroindene-2,2,5-tricarboxylate
CID 59398642
ethyl 2-amino-5-oxochromeno[4,3-b]pyridin-1-ium-3-carboxylate
CID 7056969
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222

Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate?
The IUPAC name of ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate (CID 7365844) is ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate.
What is the SMILES notation for ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate?
The canonical SMILES for ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate is CCOC(=O)c1cc2c([nH+]c1N)C[C@](C)(CC)OC2.
What is the InChIKey of ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate?
The InChIKey is WEWNGEFMBVMVAP-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(3)7-11-9(8-19-14)6-10(12(15)16-11)13(17)18-5-2/h6H,4-5,7-8H2,1-3H3,(H2,15,16)/p+1/t14-/m0/s1.
What are the key properties of ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate?
ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate is sourced from PubChem (CID 7365844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).