3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid

C11H14N2O4 — CID 52933836

IUPAC3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
SMILESCC(=O)Nc1ccc(CC(N)C(=O)O)c(O)c1
InChIInChI=1S/C11H14N2O4/c1-6(14)13-8-3-2-7(10(15)5-8)4-9(12)11(16)17/h2-3,5,9,15H,4,12H2,1H3,(H,13,14)(H,16,17)
InChIKeyDHQDHCHCAJLFHP-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.31
Rot. Bonds4

About 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid

3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid (PubChem CID 52933836) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid.

Molecular Properties

Compound Name3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
PubChem CID52933836
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
SMILESCC(=O)Nc1ccc(CC(N)C(=O)O)c(O)c1
InChIInChI=1S/C11H14N2O4/c1-6(14)13-8-3-2-7(10(15)5-8)4-9(12)11(16)17/h2-3,5,9,15H,4,12H2,1H3,(H,13,14)(H,16,17)
InChIKeyDHQDHCHCAJLFHP-UHFFFAOYSA-N
XLogP0.31
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-aminopropanoic acid
CID 5233914
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
3-(4-acetamido-3-iodophenyl)-2-aminopropanoic acid
CID 571893
2-amino-3-(2-fluoro-4-hydroxy-3-methylsulfanylphenyl)propanoic acid
CID 117364576
2-amino-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoic acid
CID 155926335
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid?
The IUPAC name of 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid (CID 52933836) is 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid.
What is the SMILES notation for 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid?
The canonical SMILES for 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid is CC(=O)Nc1ccc(CC(N)C(=O)O)c(O)c1.
What is the InChIKey of 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid?
The InChIKey is DHQDHCHCAJLFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(14)13-8-3-2-7(10(15)5-8)4-9(12)11(16)17/h2-3,5,9,15H,4,12H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid?
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid is sourced from PubChem (CID 52933836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).