[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate

C19H21NO4 — CID 9139913

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
SMILESC[C@@H](NC(=O)COC(=O)CCOc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-15(16-8-4-2-5-9-16)20-18(21)14-24-19(22)12-13-23-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyAWJMEROWCXFLKS-OAHLLOKOSA-N
MW327.38 g/mol
LogP2.88
Rot. Bonds8

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate (PubChem CID 9139913) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
PubChem CID9139913
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
SMILESC[C@@H](NC(=O)COC(=O)CCOc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-15(16-8-4-2-5-9-16)20-18(21)14-24-19(22)12-13-23-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyAWJMEROWCXFLKS-OAHLLOKOSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylsulfanylpropanoate
CID 16531163
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139940
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770587
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate (CID 9139913) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate is C[C@@H](NC(=O)COC(=O)CCOc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate?
The InChIKey is AWJMEROWCXFLKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO4/c1-15(16-8-4-2-5-9-16)20-18(21)14-24-19(22)12-13-23-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate has a molecular weight of 327.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate is sourced from PubChem (CID 9139913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).