(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid

C11H13NO5 — CID 80749726

IUPAC(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1cccc(O)c1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H13NO5/c13-6-9(11(16)17)12-10(15)5-7-2-1-3-8(14)4-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyHRHLDYNVLWAGPU-SECBINFHSA-N
MW239.23 g/mol
LogP-0.50
Rot. Bonds5

About (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid (PubChem CID 80749726) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
PubChem CID80749726
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1cccc(O)c1)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H13NO5/c13-6-9(11(16)17)12-10(15)5-7-2-1-3-8(14)4-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyHRHLDYNVLWAGPU-SECBINFHSA-N
XLogP-0.50
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
(2R)-2-[3-(3-hydroxyphenyl)propanoylamino]pentanedioic acid
CID 25138178
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
4-bromo-2-[(2-phenylacetyl)amino]butanoic acid
CID 141320981
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 80751533
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid (CID 80749726) is (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid is O=C(Cc1cccc(O)c1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is HRHLDYNVLWAGPU-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO5/c13-6-9(11(16)17)12-10(15)5-7-2-1-3-8(14)4-7/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 80749726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).