4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C12H15N3O5 — CID 43172296

IUPAC4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O5/c1-20-8-5-9(11(17)18)15(6-8)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyJYIAVDCFROZUFZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.06
Rot. Bonds4

About 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43172296) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43172296
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O5/c1-20-8-5-9(11(17)18)15(6-8)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyJYIAVDCFROZUFZ-UHFFFAOYSA-N
XLogP-1.06
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
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
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355585
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43623808
(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
(2S,4S)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 64713152
(2R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922052
(2R,4R)-4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 79000723
3-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 113734834
Methyl 4-hydroxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 115971149

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43172296) is 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JYIAVDCFROZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-8-5-9(11(17)18)15(6-8)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43172296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).