[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate

C14H19NO4 — CID 139251079

IUPAC[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate
SMILESCO[C@@H](C(=O)O[C@@H](C)CNC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(9-15-11(2)16)19-14(17)13(18-3)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16)/t10-,13+/m0/s1
InChIKeyWUYGPIXEZJIIFT-GXFFZTMASA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds6

About [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate

[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate (PubChem CID 139251079) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate
PubChem CID139251079
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate
SMILESCO[C@@H](C(=O)O[C@@H](C)CNC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(9-15-11(2)16)19-14(17)13(18-3)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16)/t10-,13+/m0/s1
InChIKeyWUYGPIXEZJIIFT-GXFFZTMASA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate 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

[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-phenylmethoxypropanoyl]amino]butyl]boronic acid
CID 145963178
[2-Oxo-2-(propylamino)ethyl] 4-phenylbenzoate
CID 2097080
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] benzoate
CID 2365769
[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2433139
[2-(Cycloheptylamino)-2-oxoethyl] benzoate
CID 2642588

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate?
The IUPAC name of [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate (CID 139251079) is [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate.
What is the SMILES notation for [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate?
The canonical SMILES for [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate is CO[C@@H](C(=O)O[C@@H](C)CNC(C)=O)c1ccccc1.
What is the InChIKey of [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate?
The InChIKey is WUYGPIXEZJIIFT-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(9-15-11(2)16)19-14(17)13(18-3)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16)/t10-,13+/m0/s1.
What are the key properties of [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate?
[(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate has a molecular weight of 265.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-acetamidopropan-2-yl] (2R)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 139251079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).