methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate

C13H17N3O4 — CID 170049893

IUPACmethyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESC=C1NC(=O)C=CN1CC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C13H17N3O4/c1-9-14-11(17)5-7-15(9)8-12(18)16-6-3-4-10(16)13(19)20-2/h5,7,10H,1,3-4,6,8H2,2H3,(H,14,17)
InChIKeyVJYOGILZSXYHPA-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.43
Rot. Bonds3

About methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 170049893) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID170049893
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESC=C1NC(=O)C=CN1CC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C13H17N3O4/c1-9-14-11(17)5-7-15(9)8-12(18)16-6-3-4-10(16)13(19)20-2/h5,7,10H,1,3-4,6,8H2,2H3,(H,14,17)
InChIKeyVJYOGILZSXYHPA-UHFFFAOYSA-N
XLogP-0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 170049893) is methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is C=C1NC(=O)C=CN1CC(=O)N1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is VJYOGILZSXYHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-14-11(17)5-7-15(9)8-12(18)16-6-3-4-10(16)13(19)20-2/h5,7,10H,1,3-4,6,8H2,2H3,(H,14,17).
What are the key properties of methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylidene-4-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 170049893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).