methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate

C11H13N3O4 — CID 91756600

IUPACmethyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2=O)cnc1N
InChIInChI=1S/C11H13N3O4/c1-17-11(16)8-4-7(5-13-10(8)12)14-2-3-18-6-9(14)15/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyCRLZXBOEJBZTBY-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.19
Rot. Bonds2

About methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate

methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate (PubChem CID 91756600) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
PubChem CID91756600
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namemethyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2=O)cnc1N
InChIInChI=1S/C11H13N3O4/c1-17-11(16)8-4-7(5-13-10(8)12)14-2-3-18-6-9(14)15/h4-5H,2-3,6H2,1H3,(H2,12,13)
InChIKeyCRLZXBOEJBZTBY-UHFFFAOYSA-N
XLogP-0.19
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
CID 53419442
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
CID 90078115
N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175857155
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
tert-butyl 5-(3-oxomorpholin-4-yl)-1,3-dihydroisoindole-2-carboxylate
CID 177238886

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate (CID 91756600) is methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate is COC(=O)c1cc(N2CCOCC2=O)cnc1N.
What is the InChIKey of methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate?
The InChIKey is CRLZXBOEJBZTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-17-11(16)8-4-7(5-13-10(8)12)14-2-3-18-6-9(14)15/h4-5H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate?
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate has a molecular weight of 251.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 91756600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).