(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid

C11H13NO5 — CID 107833634

IUPAC(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(O)cc1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H13NO5/c13-8-3-1-7(2-4-8)5-10(15)12-6-9(14)11(16)17/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyAESKBTZSEVYTGX-VIFPVBQESA-N
MW239.23 g/mol
LogP-0.50
Rot. Bonds5

About (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid (PubChem CID 107833634) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
PubChem CID107833634
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(O)cc1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H13NO5/c13-8-3-1-7(2-4-8)5-10(15)12-6-9(14)11(16)17/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyAESKBTZSEVYTGX-VIFPVBQESA-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

(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
CID 63294554
3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107721718
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 66166034
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
(2S)-3-[[4-(aminomethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 114006820
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
CID 137320446
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid (CID 107833634) is (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid is O=C(Cc1ccc(O)cc1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is AESKBTZSEVYTGX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO5/c13-8-3-1-7(2-4-8)5-10(15)12-6-9(14)11(16)17/h1-4,9,13-14H,5-6H2,(H,12,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[2-(4-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 (2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 107833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).