3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid

C17H17NO4 — CID 112758397

IUPAC3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)NC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c19-14-8-4-7-13(9-14)10-15(17(21)22)18-16(20)11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,20)(H,21,22)
InChIKeyJZEIHAVSSWRBTL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.75
Rot. Bonds6

About 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid

3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 112758397) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
PubChem CID112758397
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccccc1)NC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C17H17NO4/c19-14-8-4-7-13(9-14)10-15(17(21)22)18-16(20)11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,20)(H,21,22)
InChIKeyJZEIHAVSSWRBTL-UHFFFAOYSA-N
XLogP1.75
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 14770714
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-2-acetamido-3-(3-hydroxyphenyl)propanoic acid;methyl (2R)-2-acetamido-3-(3-hydroxyphenyl)propanoate;methyl 2-acetamido-3-(3-hydroxyphenyl)propanoate
CID 159179016
N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
(2R)-2-(butoxycarbonylamino)-3-(3-hydroxyphenyl)propanoic acid
CID 140538426
3-phenyl-2-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoic acid
CID 100996436
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
CID 82364579
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid (CID 112758397) is 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid is O=C(Cc1ccccc1)NC(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is JZEIHAVSSWRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-14-8-4-7-13(9-14)10-15(17(21)22)18-16(20)11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,18,20)(H,21,22).
What are the key properties of 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid?
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 112758397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).