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

C12H15N3O4 — CID 43623808

IUPACmethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c1-19-11(17)9-4-2-7-15(9)10(16)8-14-6-3-5-13-12(14)18/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyPIZDFTOGWXEAQN-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.59
Rot. Bonds3

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

methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43623808) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43623808
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c1-19-11(17)9-4-2-7-15(9)10(16)8-14-6-3-5-13-12(14)18/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyPIZDFTOGWXEAQN-UHFFFAOYSA-N
XLogP-0.59
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43171349
4-Methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43172296
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355585
(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136710
(2S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61153710
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600981
(2S,4R)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 63858159
2-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64372466
(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64713152
1-{2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}pyrimidin-2(1H)-one
CID 74246831
(2R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922052
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylate
CID 78986617

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 43623808) is methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is PIZDFTOGWXEAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-11(17)9-4-2-7-15(9)10(16)8-14-6-3-5-13-12(14)18/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43623808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).