[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate

C12H12N2O4 — CID 9141078

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C12H12N2O4/c1-8(12(14)16)18-11(15)7-17-10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3,(H2,14,16)/t8-/m1/s1
InChIKeyFTHMJVOLGDFMAX-MRVPVSSYSA-N
MW248.24 g/mol
LogP0.35
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (PubChem CID 9141078) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
PubChem CID9141078
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C12H12N2O4/c1-8(12(14)16)18-11(15)7-17-10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3,(H2,14,16)/t8-/m1/s1
InChIKeyFTHMJVOLGDFMAX-MRVPVSSYSA-N
XLogP0.35
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 2078238
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 9328058
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 9140873
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9140965
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141040
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843093
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843086
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846065
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 26476872

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate (CID 9141078) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
The InChIKey is FTHMJVOLGDFMAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-8(12(14)16)18-11(15)7-17-10-4-2-9(6-13)3-5-10/h2-5,8H,7H2,1H3,(H2,14,16)/t8-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate has a molecular weight of 248.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9141078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).