4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C13H16N2O5 — CID 43172298

IUPAC4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-19-8-6-10(13(17)18)15(7-8)12(16)9-4-3-5-14-11(9)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyIJBQIVYMCRBBAW-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.40
Rot. Bonds4

About 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43172298) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43172298
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-19-8-6-10(13(17)18)15(7-8)12(16)9-4-3-5-14-11(9)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyIJBQIVYMCRBBAW-UHFFFAOYSA-N
XLogP0.40
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154783729
1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083487
(2-methoxy-3-pyridinyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270172
(2S,3aR,7aR)-1-(2-methoxypyridine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125118091
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
1-(5-chloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 103932758
4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189078
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43172298) is 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is COc1ncccc1C(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IJBQIVYMCRBBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-8-6-10(13(17)18)15(7-8)12(16)9-4-3-5-14-11(9)20-2/h3-5,8,10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43172298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).