2-aminooxycarbonyltridecanoic acid

C14H27NO4 — CID 118615071

IUPAC2-aminooxycarbonyltridecanoic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)ON
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13(16)17)14(18)19-15/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyFNPTVWPBTQGGFE-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.03
Rot. Bonds12

About 2-aminooxycarbonyltridecanoic acid

2-aminooxycarbonyltridecanoic acid (PubChem CID 118615071) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-aminooxycarbonyltridecanoic acid.

Molecular Properties

Compound Name2-aminooxycarbonyltridecanoic acid
PubChem CID118615071
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-aminooxycarbonyltridecanoic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)ON
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13(16)17)14(18)19-15/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyFNPTVWPBTQGGFE-UHFFFAOYSA-N
XLogP3.03
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544
2-carbamoylhexadecanoic acid
CID 172818471
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
amino 2-aminododecanoate
CID 174504612
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565
2-octanoylhexadecanoic acid
CID 159011592
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974

Frequently Asked Questions

What is the IUPAC name of 2-aminooxycarbonyltridecanoic acid?
The IUPAC name of 2-aminooxycarbonyltridecanoic acid (CID 118615071) is 2-aminooxycarbonyltridecanoic acid.
What is the SMILES notation for 2-aminooxycarbonyltridecanoic acid?
The canonical SMILES for 2-aminooxycarbonyltridecanoic acid is CCCCCCCCCCCC(C(=O)O)C(=O)ON.
What is the InChIKey of 2-aminooxycarbonyltridecanoic acid?
The InChIKey is FNPTVWPBTQGGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12(13(16)17)14(18)19-15/h12H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 2-aminooxycarbonyltridecanoic acid?
2-aminooxycarbonyltridecanoic acid has a molecular weight of 273.37 g/mol, XLogP of 3.03, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxycarbonyltridecanoic acid is sourced from PubChem (CID 118615071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).