methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate

C13H17N3O4 — CID 79770247

IUPACmethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2C(N)=O)CCO1
InChIInChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeyVBVDOTIJHCSISG-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.05
Rot. Bonds4

About methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate

methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate (PubChem CID 79770247) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
PubChem CID79770247
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2C(N)=O)CCO1
InChIInChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeyVBVDOTIJHCSISG-UHFFFAOYSA-N
XLogP-0.05
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate (CID 79770247) is methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ncccc2C(N)=O)CCO1.
What is the InChIKey of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The InChIKey is VBVDOTIJHCSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18).
What are the key properties of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate has a molecular weight of 279.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79770247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).