2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid

C17H17NO4 — CID 67687851

IUPAC2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid
SMILESCC(OCc1ccccc1)C(=O)c1cccc(C(=O)O)c1N
InChIInChI=1S/C17H17NO4/c1-11(22-10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(15(13)18)17(20)21/h2-9,11H,10,18H2,1H3,(H,20,21)
InChIKeyJQLFSIVNYNYTRE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.76
Rot. Bonds6

About 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid

2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid (PubChem CID 67687851) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid
PubChem CID67687851
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid
SMILESCC(OCc1ccccc1)C(=O)c1cccc(C(=O)O)c1N
InChIInChI=1S/C17H17NO4/c1-11(22-10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(15(13)18)17(20)21/h2-9,11H,10,18H2,1H3,(H,20,21)
InChIKeyJQLFSIVNYNYTRE-UHFFFAOYSA-N
XLogP2.76
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
phenyl 2-phenylmethoxypropanoate
CID 15731819
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
3-[2-phenylmethoxypropanoyl(propan-2-yl)amino]propanoic acid
CID 60830240
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid?
The IUPAC name of 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid (CID 67687851) is 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid.
What is the SMILES notation for 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid?
The canonical SMILES for 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid is CC(OCc1ccccc1)C(=O)c1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid?
The InChIKey is JQLFSIVNYNYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(22-10-12-6-3-2-4-7-12)16(19)13-8-5-9-14(15(13)18)17(20)21/h2-9,11H,10,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid?
2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-phenylmethoxypropanoyl)benzoic acid is sourced from PubChem (CID 67687851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).