[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium

C16H23N2O3+ — CID 3324672

IUPAC[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium
SMILESCCCCC1CC(C)(C(=O)C[NH2+]c2ccccn2)OC1=O
InChIInChI=1S/C16H22N2O3/c1-3-4-7-12-10-16(2,21-15(12)20)13(19)11-18-14-8-5-6-9-17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18)/p+1
InChIKeyITNZGHQODGRHAV-UHFFFAOYSA-O
MW291.37 g/mol
LogP1.36
Rot. Bonds7

About [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium

[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium (PubChem CID 3324672) has the molecular formula C16H23N2O3+ and a molecular weight of 291.37 g/mol. Its IUPAC name is [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium.

Molecular Properties

Compound Name[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium
PubChem CID3324672
Molecular FormulaC16H23N2O3+
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium
SMILESCCCCC1CC(C)(C(=O)C[NH2+]c2ccccn2)OC1=O
InChIInChI=1S/C16H22N2O3/c1-3-4-7-12-10-16(2,21-15(12)20)13(19)11-18-14-8-5-6-9-17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18)/p+1
InChIKeyITNZGHQODGRHAV-UHFFFAOYSA-O
XLogP1.36
TPSA72.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-methyl-3-propyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
CID 826146
(5S)-5-methyl-5-[2-(pyridin-2-ylamino)acetyl]oxolan-2-one
CID 1601585
N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2921146
Tert-butyl (1s,4s)-4-[(pyridin-2-yl)amino]cyclohexane-1-carboxylate
CID 133422853
Ethyl 6-[(3-methylpyridin-2-yl)amino]-6-phenylhexanoate
CID 134824203
Tert-butyl 5-[(pyridin-2-ylamino)methyl]octanoate
CID 71002013
2-Amino-1-[3-ethoxy-2,3-dioxo-1-(2-phenylethyl)propyl]pyridinium bromide
CID 86642209
Ethyl 3-(2-aminopyridin-1-ium-1-yl)-2-oxo-5-phenylpentanoate
CID 86642210
Ethyl 2-[4-[2-(2-pyridylamino)ethylamino]cyclohexyl]acetate
CID 86722966
Tert-butyl 7-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]heptanoate
CID 123283129
Tert-butyl 3-[3-methyl-4-[(pyridin-2-ylamino)methyl]phenyl]propanoate
CID 141017042
(1R,4E)-4-[[6-(ethylamino)-3-pyridinyl]methylidene]cycloheptane-1-carboxylic acid
CID 146561649

Frequently Asked Questions

What is the IUPAC name of [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium?
The IUPAC name of [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium (CID 3324672) is [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium.
What is the SMILES notation for [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium?
The canonical SMILES for [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium is CCCCC1CC(C)(C(=O)C[NH2+]c2ccccn2)OC1=O.
What is the InChIKey of [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium?
The InChIKey is ITNZGHQODGRHAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-7-12-10-16(2,21-15(12)20)13(19)11-18-14-8-5-6-9-17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18)/p+1.
What are the key properties of [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium?
[2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium has a molecular weight of 291.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium is sourced from PubChem (CID 3324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).