1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid

C12H15N3O4 — CID 43517506

IUPAC1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C12H15N3O4/c1-19-8-5-10(12(17)18)15(6-8)7-2-3-14-9(4-7)11(13)16/h2-4,8,10H,5-6H2,1H3,(H2,13,16)(H,17,18)
InChIKeyBRNBWIFHTIEDNE-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.14
Rot. Bonds4

About 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 43517506) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID43517506
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C12H15N3O4/c1-19-8-5-10(12(17)18)15(6-8)7-2-3-14-9(4-7)11(13)16/h2-4,8,10H,5-6H2,1H3,(H2,13,16)(H,17,18)
InChIKeyBRNBWIFHTIEDNE-UHFFFAOYSA-N
XLogP-0.14
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 43517506) is 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is BRNBWIFHTIEDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-8-5-10(12(17)18)15(6-8)7-2-3-14-9(4-7)11(13)16/h2-4,8,10H,5-6H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43517506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).