N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide

C10H14N2O6 — CID 166986658

IUPACN-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide
SMILESO=C(CNC(O)Cc1cc(O)c(O)c(O)c1)NO
InChIInChI=1S/C10H14N2O6/c13-6-1-5(2-7(14)10(6)17)3-8(15)11-4-9(16)12-18/h1-2,8,11,13-15,17-18H,3-4H2,(H,12,16)
InChIKeyARTZCBQLMVWQGJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP-1.24
Rot. Bonds5

About N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide

N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide (PubChem CID 166986658) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide
PubChem CID166986658
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC NameN-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide
SMILESO=C(CNC(O)Cc1cc(O)c(O)c(O)c1)NO
InChIInChI=1S/C10H14N2O6/c13-6-1-5(2-7(14)10(6)17)3-8(15)11-4-9(16)12-18/h1-2,8,11,13-15,17-18H,3-4H2,(H,12,16)
InChIKeyARTZCBQLMVWQGJ-UHFFFAOYSA-N
XLogP-1.24
TPSA142.28 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide (CID 166986658) is N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide is O=C(CNC(O)Cc1cc(O)c(O)c(O)c1)NO.
What is the InChIKey of N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide?
The InChIKey is ARTZCBQLMVWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-6-1-5(2-7(14)10(6)17)3-8(15)11-4-9(16)12-18/h1-2,8,11,13-15,17-18H,3-4H2,(H,12,16).
What are the key properties of N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide?
N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide has a molecular weight of 258.23 g/mol, XLogP of -1.24, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-hydroxy-2-(3,4,5-trihydroxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 166986658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).