(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid

C17H17NO4 — CID 699216

IUPAC(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO4/c19-16(12-22-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyMEXVAAGSEKDAHV-OAHLLOKOSA-N
MW299.33 g/mol
LogP1.88
Rot. Bonds7

About (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid

(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid (PubChem CID 699216) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
PubChem CID699216
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
SMILESO=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO4/c19-16(12-22-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyMEXVAAGSEKDAHV-OAHLLOKOSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid (CID 699216) is (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid is O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid?
The InChIKey is MEXVAAGSEKDAHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(12-22-14-9-5-2-6-10-14)18-15(17(20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 699216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).