ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate

C14H20N2O5S — CID 54053940

IUPACethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O
InChIInChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3
InChIKeyLUXBOWFADACUJO-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.49
Rot. Bonds6

About ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate (PubChem CID 54053940) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
PubChem CID54053940
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Nameethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O
InChIInChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3
InChIKeyLUXBOWFADACUJO-UHFFFAOYSA-N
XLogP0.49
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1H-imidazo[4,5-b]pyridin-3-ium-5-ylmethyl)acetamide
CID 123739497
ethyl 2-[3-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetate
CID 58869591
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetate
CID 10198231
ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
CID 70023589
ethyl 2-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)acetate
CID 58564131
tert-butyl 2-[4-(cyclohexylmethyl)-3,6-dimethyl-2-oxo-1-pyridinyl]acetate
CID 54038185
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
ethyl 2-[1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoro-2,4-dioxoquinazolin-3-yl]acetate
CID 59311286
ethyl 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63799209
N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 70024918
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate (CID 54053940) is ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O.
What is the InChIKey of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is LUXBOWFADACUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3.
What are the key properties of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 328.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 54053940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).