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[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate

C22H26N2O4 — CID 8611777

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(19-7-5-4-6-8-19)14-23-22(27)16(2)28-21(26)13-18-9-11-20(12-10-18)24-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-,16-/m0/s1
InChIKeyDZDPIEJVHWONIA-HOTGVXAUSA-N
MW382.46 g/mol
LogP3.04
Rot. Bonds8

About [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate

[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate (PubChem CID 8611777) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
PubChem CID8611777
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(19-7-5-4-6-8-19)14-23-22(27)16(2)28-21(26)13-18-9-11-20(12-10-18)24-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-,16-/m0/s1
InChIKeyDZDPIEJVHWONIA-HOTGVXAUSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate (CID 8611777) is [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate?
The InChIKey is DZDPIEJVHWONIA-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(19-7-5-4-6-8-19)14-23-22(27)16(2)28-21(26)13-18-9-11-20(12-10-18)24-17(3)25/h4-12,15-16H,13-14H2,1-3H3,(H,23,27)(H,24,25)/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate?
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate has a molecular weight of 382.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8611777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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