[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium

C7H16NO2+ — CID 6951044

IUPAC[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
SMILESCC(C)(C)OC(=O)CC[NH3+]
InChIInChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3/p+1
InChIKeyZJXHVYSDMUKUCA-UHFFFAOYSA-O
MW146.21 g/mol
LogP-0.04
Rot. Bonds2

About [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium

[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium (PubChem CID 6951044) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
PubChem CID6951044
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium
SMILESCC(C)(C)OC(=O)CC[NH3+]
InChIInChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3/p+1
InChIKeyZJXHVYSDMUKUCA-UHFFFAOYSA-O
XLogP-0.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 3-aminopropanoate
CID 4192171
Tert-butyl 3-(methylamino)propanoate
CID 14760311
Tert-butyl 3-aminopropanoate hydrochloride
CID 16218890
Tert-butyl 3-amino-2,2-dimethylpropanoate
CID 15430260
1,1-Dimethylethyl (3R)-3-aminobutanoate
CID 2733826
tert-Butyl 3-amino-2-methylpropionate
CID 14557403
Propan-2-yl 3-amino-2-methylpropanoate hydrochloride
CID 54595850
Tert-butyl 2-(aminomethyl)butanoate
CID 65220536
Propan-2-yl 3-amino-2-methylpropanoate
CID 18795003
tert-butyl (3S)-3-aminobutanoate hydrochloride
CID 46735263
Tert-butyl 3-aminobutanoate hydrochloride
CID 50988113
Ethyl 3-((tert-butoxy)amino)propanoate
CID 82724877

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium (CID 6951044) is [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium is CC(C)(C)OC(=O)CC[NH3+].
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
The InChIKey is ZJXHVYSDMUKUCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3/p+1.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium?
[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium has a molecular weight of 146.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]azanium is sourced from PubChem (CID 6951044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).