[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate

C17H17NO4 — CID 8919855

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(N)=O
InChIInChI=1S/C17H17NO4/c1-12(17(18)20)22-16(19)11-21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,20)/t12-/m1/s1
InChIKeyKJZJRHPLKQMQJI-GFCCVEGCSA-N
MW299.33 g/mol
LogP2.15
Rot. Bonds6

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate (PubChem CID 8919855) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
PubChem CID8919855
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(N)=O
InChIInChI=1S/C17H17NO4/c1-12(17(18)20)22-16(19)11-21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,20)/t12-/m1/s1
InChIKeyKJZJRHPLKQMQJI-GFCCVEGCSA-N
XLogP2.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate 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

[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608938
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608944
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982005
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
CID 8919741
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate (CID 8919855) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate is C[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate?
The InChIKey is KJZJRHPLKQMQJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(17(18)20)22-16(19)11-21-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,18,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate has a molecular weight of 299.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 8919855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).