5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one

C15H20N2O3 — CID 3838211

IUPAC5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
SMILESCCCC1CC(C)(C(=O)CNc2ccccn2)OC1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)
InChIKeySKSMHQUWUQJHKP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds6

About 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one

5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one (PubChem CID 3838211) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
PubChem CID3838211
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
SMILESCCCC1CC(C)(C(=O)CNc2ccccn2)OC1=O
InChIInChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)
InChIKeySKSMHQUWUQJHKP-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium
CID 3324672
2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-pyridin-2-ylacetamide
CID 754439
2-[2-[(2S,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 742040
1-[2-(2-methyl-5-oxo-4-propyloxolan-2-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 3100711
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
bicyclo[2.1.1]hexan-5-one;N-ethylpyridin-2-amine
CID 174297786
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridin-2-amine
CID 107389192
N-butylpyridin-2-amine
CID 14322668
(3R,5R)-5-[2-(ethylamino)-1,3-thiazol-4-yl]-5-methyl-3-propyloxolan-2-one
CID 1096885
3-[2-(pyridin-2-ylamino)ethyl]cyclobutan-1-ol
CID 130735876

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The IUPAC name of 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one (CID 3838211) is 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one.
What is the SMILES notation for 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The canonical SMILES for 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one is CCCC1CC(C)(C(=O)CNc2ccccn2)OC1=O.
What is the InChIKey of 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
The InChIKey is SKSMHQUWUQJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one?
5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one is sourced from PubChem (CID 3838211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).