[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium

C14H22NO2+ — CID 7022712

IUPAC[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3/p+1/t13-/m1/s1
InChIKeyQYECSIUAFGVMLM-CYBMUJFWSA-O
MW236.33 g/mol
LogP2.05
Rot. Bonds5

About [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium

[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium (PubChem CID 7022712) has the molecular formula C14H22NO2+ and a molecular weight of 236.33 g/mol. Its IUPAC name is [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium.

Molecular Properties

Compound Name[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
PubChem CID7022712
Molecular FormulaC14H22NO2+
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCCOC(=O)C[C@@H]([NH3+])c1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3/p+1/t13-/m1/s1
InChIKeyQYECSIUAFGVMLM-CYBMUJFWSA-O
XLogP2.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
[(1S)-1-(3-bromo-4-ethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046994
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848294
[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]azanium
CID 4201976
[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
CID 7447456
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl (3S)-3-(4-chlorophenyl)pent-4-enoate
CID 154714131
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium?
The IUPAC name of [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium (CID 7022712) is [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium.
What is the SMILES notation for [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium?
The canonical SMILES for [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium is CCOC(=O)C[C@@H]([NH3+])c1ccc(C(C)C)cc1.
What is the InChIKey of [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium?
The InChIKey is QYECSIUAFGVMLM-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14(16)9-13(15)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9,15H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium?
[(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium has a molecular weight of 236.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-ethoxy-3-oxo-1-(4-propan-2-ylphenyl)propyl]azanium is sourced from PubChem (CID 7022712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).