4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H17N3O4 — CID 107265732

IUPAC4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Nc2cncc(C)c2)C1
InChIInChI=1S/C13H17N3O4/c1-8-3-9(6-14-5-8)15-13(19)16-7-10(20-2)4-11(16)12(17)18/h3,5-6,10-11H,4,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMXYQFVQZJOLJDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.10
Rot. Bonds3

About 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid

4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 107265732) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID107265732
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Nc2cncc(C)c2)C1
InChIInChI=1S/C13H17N3O4/c1-8-3-9(6-14-5-8)15-13(19)16-7-10(20-2)4-11(16)12(17)18/h3,5-6,10-11H,4,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMXYQFVQZJOLJDJ-UHFFFAOYSA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189078
1-[(3-bromophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61190492
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
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-[(3-bromo-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107627283
1-[(5-bromo-2-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 62908098
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62996183
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 107265732) is 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Nc2cncc(C)c2)C1.
What is the InChIKey of 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MXYQFVQZJOLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-3-9(6-14-5-8)15-13(19)16-7-10(20-2)4-11(16)12(17)18/h3,5-6,10-11H,4,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(5-methyl-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).