methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

C11H13N3O5 — CID 43410328

IUPACmethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c1-19-10(17)7-3-2-4-14(7)9(16)6-5-8(15)13-11(18)12-6/h5,7H,2-4H2,1H3,(H2,12,13,15,18)
InChIKeyPSKYCGHQDPEQQU-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.16
Rot. Bonds2

About methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410328) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43410328
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Namemethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c1-19-10(17)7-3-2-4-14(7)9(16)6-5-8(15)13-11(18)12-6/h5,7H,2-4H2,1H3,(H2,12,13,15,18)
InChIKeyPSKYCGHQDPEQQU-UHFFFAOYSA-N
XLogP-1.16
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate (CID 43410328) is methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PSKYCGHQDPEQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-19-10(17)7-3-2-4-14(7)9(16)6-5-8(15)13-11(18)12-6/h5,7H,2-4H2,1H3,(H2,12,13,15,18).
What are the key properties of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 267.24 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).