2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid

C17H17NO4 — CID 162228691

IUPAC2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12(17(20)21)18-16(19)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVCPEIFQJNLZHS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.61
Rot. Bonds6

About 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid

2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 162228691) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
PubChem CID162228691
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c1-12(17(20)21)18-16(19)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVCPEIFQJNLZHS-UHFFFAOYSA-N
XLogP2.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
CID 174876749
CID 174876749
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid (CID 162228691) is 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is ZVCPEIFQJNLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(17(20)21)18-16(19)11-13-6-5-9-15(10-13)22-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid?
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 162228691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).