4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid

C15H22N2O3 — CID 115982215

IUPAC4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ncccc1C)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-7-17(8-13-11(2)5-4-6-16-13)14-10-20-9-12(14)15(18)19/h4-6,12,14H,3,7-10H2,1-2H3,(H,18,19)
InChIKeyKRCYKEDUZLVDHM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds6

About 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid

4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid (PubChem CID 115982215) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
PubChem CID115982215
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ncccc1C)C1COCC1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-7-17(8-13-11(2)5-4-6-16-13)14-10-20-9-12(14)15(18)19/h4-6,12,14H,3,7-10H2,1-2H3,(H,18,19)
InChIKeyKRCYKEDUZLVDHM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
4-[(2-hydroxyphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66253097
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253874
4-[(5-bromofuran-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254018
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[(2,3-dimethylphenyl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66246912
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid (CID 115982215) is 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid is CCCN(Cc1ncccc1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid?
The InChIKey is KRCYKEDUZLVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-17(8-13-11(2)5-4-6-16-13)14-10-20-9-12(14)15(18)19/h4-6,12,14H,3,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid?
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115982215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).