(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium

C12H18FN2O+ — CID 9133208

IUPAC(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-8(2)12(15-7-11(14)16)9-3-5-10(13)6-4-9/h3-6,8,12,15H,7H2,1-2H3,(H2,14,16)/p+1/t12-/m1/s1
InChIKeyZCTKQKULYBSQIO-GFCCVEGCSA-O
MW225.29 g/mol
LogP0.57
Rot. Bonds5

About (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium

(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium (PubChem CID 9133208) has the molecular formula C12H18FN2O+ and a molecular weight of 225.29 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
PubChem CID9133208
Molecular FormulaC12H18FN2O+
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-8(2)12(15-7-11(14)16)9-3-5-10(13)6-4-9/h3-6,8,12,15H,7H2,1-2H3,(H2,14,16)/p+1/t12-/m1/s1
InChIKeyZCTKQKULYBSQIO-GFCCVEGCSA-O
XLogP0.57
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9133344
[2-(2-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133680
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133689
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133902
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133375
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129818
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133831
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133961
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133336

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The IUPAC name of (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium (CID 9133208) is (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The canonical SMILES for (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium is CC(C)[C@@H]([NH2+]CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
The InChIKey is ZCTKQKULYBSQIO-GFCCVEGCSA-O. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)12(15-7-11(14)16)9-3-5-10(13)6-4-9/h3-6,8,12,15H,7H2,1-2H3,(H2,14,16)/p+1/t12-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium?
(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium has a molecular weight of 225.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 9133208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).