4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H15N3O4 — CID 61189078

IUPAC4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C12H15N3O4/c1-19-9-5-10(11(16)17)15(7-9)12(18)14-8-3-2-4-13-6-8/h2-4,6,9-10H,5,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLEBPHQJAVPMNEU-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.79
Rot. Bonds3

About 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61189078) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61189078
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Nc2cccnc2)C1
InChIInChI=1S/C12H15N3O4/c1-19-9-5-10(11(16)17)15(7-9)12(18)14-8-3-2-4-13-6-8/h2-4,6,9-10H,5,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLEBPHQJAVPMNEU-UHFFFAOYSA-N
XLogP0.79
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107265732
1-[(3-bromophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61190492
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61209916
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61468601
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381
1-[(3-bromo-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107627283
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62996183
4-methoxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106421059

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61189078) is 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Nc2cccnc2)C1.
What is the InChIKey of 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LEBPHQJAVPMNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-9-5-10(11(16)17)15(7-9)12(18)14-8-3-2-4-13-6-8/h2-4,6,9-10H,5,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).