[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide

C12H13BNO5- — CID 177492054

IUPAC[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide
SMILESNC(=O)COc1ccc2cc([B-](O)(O)O)ccc2c1
InChIInChI=1S/C12H13BNO5/c14-12(15)7-19-11-4-2-8-5-10(13(16,17)18)3-1-9(8)6-11/h1-6,16-18H,7H2,(H2,14,15)/q-1
InChIKeyDIJZRRFEDSIZQW-UHFFFAOYSA-N
MW262.05 g/mol
LogP-1.17
Rot. Bonds4

About [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide

[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide (PubChem CID 177492054) has the molecular formula C12H13BNO5- and a molecular weight of 262.05 g/mol. Its IUPAC name is [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide.

Molecular Properties

Compound Name[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide
PubChem CID177492054
Molecular FormulaC12H13BNO5-
Molecular Weight262.05 g/mol
Exact Mass262.09
IUPAC Name[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide
SMILESNC(=O)COc1ccc2cc([B-](O)(O)O)ccc2c1
InChIInChI=1S/C12H13BNO5/c14-12(15)7-19-11-4-2-8-5-10(13(16,17)18)3-1-9(8)6-11/h1-6,16-18H,7H2,(H2,14,15)/q-1
InChIKeyDIJZRRFEDSIZQW-UHFFFAOYSA-N
XLogP-1.17
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-bromophenoxy)acetamide
CID 97033765
CID 88969762
CID 88969762
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
potassium;hydride;2-phenoxyacetamide
CID 175513799
2-naphthalen-2-yloxyethanethioamide
CID 7454258

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide?
The IUPAC name of [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide (CID 177492054) is [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide.
What is the SMILES notation for [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide?
The canonical SMILES for [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide is NC(=O)COc1ccc2cc([B-](O)(O)O)ccc2c1.
What is the InChIKey of [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide?
The InChIKey is DIJZRRFEDSIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BNO5/c14-12(15)7-19-11-4-2-8-5-10(13(16,17)18)3-1-9(8)6-11/h1-6,16-18H,7H2,(H2,14,15)/q-1.
What are the key properties of [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide?
[6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide has a molecular weight of 262.05 g/mol, XLogP of -1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-2-oxoethoxy)naphthalen-2-yl]-trihydroxyboranuide is sourced from PubChem (CID 177492054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).