methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate

C12H15N3O5 — CID 43410295

IUPACmethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c1-20-11(18)8-3-2-4-15(8)10(17)6-7-5-9(16)14-12(19)13-7/h5,8H,2-4,6H2,1H3,(H2,13,14,16,19)
InChIKeySUTYUQCHKMMJGK-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.23
Rot. Bonds3

About methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43410295) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43410295
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c1-20-11(18)8-3-2-4-15(8)10(17)6-7-5-9(16)14-12(19)13-7/h5,8H,2-4,6H2,1H3,(H2,13,14,16,19)
InChIKeySUTYUQCHKMMJGK-UHFFFAOYSA-N
XLogP-1.23
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,5Z)-5-(2,4-dioxo-1,3-diazinan-5-ylidene)pyrrolidine-2-carboxylate
CID 10562821
ethyl (2S,5E)-5-(2,4-dioxo-1,3-diazinan-5-ylidene)pyrrolidine-2-carboxylate
CID 21607458
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357052
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359796
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoate
CID 43409737
methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
CID 43410328
methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43623785
(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 55150224
(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152952
ethyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
CID 61600856
ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
CID 61600858

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate (CID 43410295) is methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is SUTYUQCHKMMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-11(18)8-3-2-4-15(8)10(17)6-7-5-9(16)14-12(19)13-7/h5,8H,2-4,6H2,1H3,(H2,13,14,16,19).
What are the key properties of methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).