1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid

C15H22N2O3 — CID 106978885

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cccnc1OC
InChIInChI=1S/C15H22N2O3/c1-3-7-15(14(18)19)8-5-10-17(15)11-12-6-4-9-16-13(12)20-2/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyRBUGPNJYRDEDSO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.31
Rot. Bonds6

About 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978885) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978885
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1cccnc1OC
InChIInChI=1S/C15H22N2O3/c1-3-7-15(14(18)19)8-5-10-17(15)11-12-6-4-9-16-13(12)20-2/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyRBUGPNJYRDEDSO-UHFFFAOYSA-N
XLogP2.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978777
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979151
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107517270
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978769
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979102
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
CID 72935022

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978885) is 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1cccnc1OC.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is RBUGPNJYRDEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-15(14(18)19)8-5-10-17(15)11-12-6-4-9-16-13(12)20-2/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).