[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium

C5H12NO2+ — CID 6932860

IUPAC[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
SMILESCCOC(=O)[C@@H](C)[NH3+]
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1
InChIKeyROBXZHNBBCHEIQ-SCSAIBSYSA-O
MW118.16 g/mol
LogP-0.82
Rot. Bonds2

About [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium

[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium (PubChem CID 6932860) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
PubChem CID6932860
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
SMILESCCOC(=O)[C@@H](C)[NH3+]
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1
InChIKeyROBXZHNBBCHEIQ-SCSAIBSYSA-O
XLogP-0.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 6994014
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl (2R)-2-bromopropanoate
CID 7003709
[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
CID 11194687
[(1S)-1-cyano-2-ethoxy-2-oxoethyl]azanium
CID 6955332
ethyl 2,4-dimethyl-3-oxohexanoate
CID 165012883
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium (CID 6932860) is [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium is CCOC(=O)[C@@H](C)[NH3+].
What is the InChIKey of [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium?
The InChIKey is ROBXZHNBBCHEIQ-SCSAIBSYSA-O. The full InChI is InChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1.
What are the key properties of [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium?
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium has a molecular weight of 118.16 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-ethoxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 6932860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).