acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate

C11H13NO5 — CID 89373373

IUPACacetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate
SMILESCC(=O)OC(=O)C(Cc1ccc(O)cc1)NO
InChIInChI=1S/C11H13NO5/c1-7(13)17-11(15)10(12-16)6-8-2-4-9(14)5-3-8/h2-5,10,12,14,16H,6H2,1H3
InChIKeyCORWMXUWZOELDN-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.37
Rot. Bonds4

About acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate

acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate (PubChem CID 89373373) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameacetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate
PubChem CID89373373
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Nameacetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate
SMILESCC(=O)OC(=O)C(Cc1ccc(O)cc1)NO
InChIInChI=1S/C11H13NO5/c1-7(13)17-11(15)10(12-16)6-8-2-4-9(14)5-3-8/h2-5,10,12,14,16H,6H2,1H3
InChIKeyCORWMXUWZOELDN-UHFFFAOYSA-N
XLogP0.37
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
methyl (2S)-2-(deuterioamino)-3-(4-hydroxyphenyl)propanoate
CID 162457084

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate (CID 89373373) is acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate is CC(=O)OC(=O)C(Cc1ccc(O)cc1)NO.
What is the InChIKey of acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate?
The InChIKey is CORWMXUWZOELDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-7(13)17-11(15)10(12-16)6-8-2-4-9(14)5-3-8/h2-5,10,12,14,16H,6H2,1H3.
What are the key properties of acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate?
acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate has a molecular weight of 239.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 89373373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).