8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

C12H19NO4 — CID 87219506

IUPAC8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCC2CCCC(C(=O)NO)C21
InChIInChI=1S/C12H19NO4/c14-11(13-17)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h7-10,17H,1-6H2,(H,13,14)(H,15,16)
InChIKeyYJSJYHMMNCVGCS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.41
Rot. Bonds2

About 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid

8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (PubChem CID 87219506) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
PubChem CID87219506
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SMILESO=C(O)C1CCCC2CCCC(C(=O)NO)C21
InChIInChI=1S/C12H19NO4/c14-11(13-17)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h7-10,17H,1-6H2,(H,13,14)(H,15,16)
InChIKeyYJSJYHMMNCVGCS-UHFFFAOYSA-N
XLogP1.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The IUPAC name of 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid (CID 87219506) is 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is O=C(O)C1CCCC2CCCC(C(=O)NO)C21.
What is the InChIKey of 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
The InChIKey is YJSJYHMMNCVGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(13-17)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h7-10,17H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid?
8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxycarbamoyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 87219506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).