(2-oxo-2-phenylmethoxyethyl)azanium

C9H12NO2+ — CID 3684791

IUPAC(2-oxo-2-phenylmethoxyethyl)azanium
SMILES[NH3+]CC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/p+1
InChIKeyJXYACYYPACQCDM-UHFFFAOYSA-O
MW166.20 g/mol
LogP-0.03
Rot. Bonds3

About (2-oxo-2-phenylmethoxyethyl)azanium

(2-oxo-2-phenylmethoxyethyl)azanium (PubChem CID 3684791) has the molecular formula C9H12NO2+ and a molecular weight of 166.20 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl)azanium.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl)azanium
PubChem CID3684791
Molecular FormulaC9H12NO2+
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name(2-oxo-2-phenylmethoxyethyl)azanium
SMILES[NH3+]CC(=O)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/p+1
InChIKeyJXYACYYPACQCDM-UHFFFAOYSA-O
XLogP-0.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-aminoacetate;hydrochloride
CID 11701227
benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-aminoacetate
CID 122130027
benzyl 2-chloroacetate
CID 8786
benzyl carbamate;heptahydrochloride
CID 141351835
dibenzyl 3-hydroxypentanedioate
CID 23067924
dibenzyl 4-oxoheptanedioate
CID 14639376
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
4-O-amino 1-O-benzyl butanedioate
CID 54013080
azane;benzyl 3-phenylpropanoate
CID 175136325
tribenzyl 2-aminopropane-1,2,3-tricarboxylate
CID 44511346
CID 174906307
CID 174906307

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl)azanium?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl)azanium (CID 3684791) is (2-oxo-2-phenylmethoxyethyl)azanium.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl)azanium?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl)azanium is [NH3+]CC(=O)OCc1ccccc1.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl)azanium?
The InChIKey is JXYACYYPACQCDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2/p+1.
What are the key properties of (2-oxo-2-phenylmethoxyethyl)azanium?
(2-oxo-2-phenylmethoxyethyl)azanium has a molecular weight of 166.20 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl)azanium is sourced from PubChem (CID 3684791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).