2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid

C14H27NO4 — CID 87575529

IUPAC2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
SMILESCCC(CCCCCCCCCC(=O)NO)C(=O)O
InChIInChI=1S/C14H27NO4/c1-2-12(14(17)18)10-8-6-4-3-5-7-9-11-13(16)15-19/h12,19H,2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyKPOIZCJACANVNB-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.11
Rot. Bonds12

About 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid

2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid (PubChem CID 87575529) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid.

Molecular Properties

Compound Name2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
PubChem CID87575529
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
SMILESCCC(CCCCCCCCCC(=O)NO)C(=O)O
InChIInChI=1S/C14H27NO4/c1-2-12(14(17)18)10-8-6-4-3-5-7-9-11-13(16)15-19/h12,19H,2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyKPOIZCJACANVNB-UHFFFAOYSA-N
XLogP3.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2R)-2-ethyldodecanoic acid
CID 98093060
2-tert-butyl-8-ethylnonanedioic acid
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CID 57354386
CID 57354386
2-ethylnon-7-enoic acid
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butanoic acid;2-ethyloctanoic acid
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2-ethylhexanoic acid;hexadecane
CID 174408772
N-hydroxytridecanamide
CID 14122613
2-[2-(octadecanoylamino)ethyl]docosanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid?
The IUPAC name of 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid (CID 87575529) is 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid.
What is the SMILES notation for 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid?
The canonical SMILES for 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid is CCC(CCCCCCCCCC(=O)NO)C(=O)O.
What is the InChIKey of 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid?
The InChIKey is KPOIZCJACANVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-12(14(17)18)10-8-6-4-3-5-7-9-11-13(16)15-19/h12,19H,2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid?
2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid has a molecular weight of 273.37 g/mol, XLogP of 3.11, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid is sourced from PubChem (CID 87575529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).