methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate

C11H13FN2O4 — CID 164679141

IUPACmethyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)N(C)c1cccc(OC)n1
InChIInChI=1S/C11H13FN2O4/c1-14(10(15)9(12)11(16)18-3)7-5-4-6-8(13-7)17-2/h4-6,9H,1-3H3
InChIKeyYOWPEJFWHOQVJS-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.56
Rot. Bonds4

About methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate

methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate (PubChem CID 164679141) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate
PubChem CID164679141
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)N(C)c1cccc(OC)n1
InChIInChI=1S/C11H13FN2O4/c1-14(10(15)9(12)11(16)18-3)7-5-4-6-8(13-7)17-2/h4-6,9H,1-3H3
InChIKeyYOWPEJFWHOQVJS-UHFFFAOYSA-N
XLogP0.56
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-fluoro-6-methoxy-1-methyl-2-oxopyrrolo[2,3-b]pyridine-3-carboxylate
CID 164678788
6-methoxy-N,N-dimethylpyridin-2-amine
CID 16214967
N-(6-Methoxypyridin-2-yl)pivalamide
CID 17750200
N-(6-ethoxy-2-pyridinyl)-3-methoxypropanamide
CID 71866073
Ethyl 3-[(3-amino-6-methoxypyridin-2-yl)-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-oxopropanoate
CID 57502954
2-Fluoro-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)propanal
CID 86724951
3-[(3-Amino-6-methoxypyridin-2-yl)-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 88870820
2-Fluoro-3-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)propanal
CID 90261951
N-[6-(2-fluoroethoxy)-2-pyridinyl]acetamide
CID 118262499
1-(5-Fluoro-6-methoxy-2-pyridinyl)piperidin-4-one
CID 121455991
tert-butyl N-acetyl-N-[6-(2-fluoroethoxy)-2-pyridinyl]carbamate
CID 124168300
(2S,4R)-4-fluoro-2-[(6-methoxy-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126623189

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate?
The IUPAC name of methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate (CID 164679141) is methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate.
What is the SMILES notation for methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate?
The canonical SMILES for methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate is COC(=O)C(F)C(=O)N(C)c1cccc(OC)n1.
What is the InChIKey of methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate?
The InChIKey is YOWPEJFWHOQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-14(10(15)9(12)11(16)18-3)7-5-4-6-8(13-7)17-2/h4-6,9H,1-3H3.
What are the key properties of methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate?
methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate has a molecular weight of 256.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-[(6-methoxy-2-pyridinyl)-methylamino]-3-oxopropanoate is sourced from PubChem (CID 164679141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).