4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid

C15H24N2O4 — CID 106316119

IUPAC4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-6-17(13-10-21-9-12(13)14(18)19)15(20)16-7-4-5-11(2)8-16/h5,12-13H,3-4,6-10H2,1-2H3,(H,18,19)
InChIKeyHLHOQLOQAOOMAO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds4

About 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid

4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 106316119) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID106316119
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-6-17(13-10-21-9-12(13)14(18)19)15(20)16-7-4-5-11(2)8-16/h5,12-13H,3-4,6-10H2,1-2H3,(H,18,19)
InChIKeyHLHOQLOQAOOMAO-UHFFFAOYSA-N
XLogP1.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251388
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 106316119) is 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)N1CCC=C(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is HLHOQLOQAOOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-6-17(13-10-21-9-12(13)14(18)19)15(20)16-7-4-5-11(2)8-16/h5,12-13H,3-4,6-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106316119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).