2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid

C19H34N2O8 — CID 174980846

IUPAC2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid
SMILESNOC(=O)CCCC(=O)ONC(CCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C19H34N2O8/c20-28-17(24)13-10-14-18(25)29-21-15(19(26)27)11-8-6-4-2-1-3-5-7-9-12-16(22)23/h15,21H,1-14,20H2,(H,22,23)(H,26,27)
InChIKeyWQUDDELCUVMRFA-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.45
Rot. Bonds19

About 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid

2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid (PubChem CID 174980846) has the molecular formula C19H34N2O8 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid.

Molecular Properties

Compound Name2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid
PubChem CID174980846
Molecular FormulaC19H34N2O8
Molecular Weight418.49 g/mol
Exact Mass418.23
IUPAC Name2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid
SMILESNOC(=O)CCCC(=O)ONC(CCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C19H34N2O8/c20-28-17(24)13-10-14-18(25)29-21-15(19(26)27)11-8-6-4-2-1-3-5-7-9-12-16(22)23/h15,21H,1-14,20H2,(H,22,23)(H,26,27)
InChIKeyWQUDDELCUVMRFA-UHFFFAOYSA-N
XLogP2.45
TPSA165.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyloctanedioic acid
CID 150661126
6-amino-8-aminooxy-8-oxooctanoic acid
CID 175277198
diamino tetradecanedioate
CID 174564109
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
10-(2-aminoethylamino)oxy-10-oxodecanoic acid
CID 57065970
2-methylhenicosanedioic acid
CID 21286141
[[1,13-bis(diaminomethylideneamino)-5-oxotridecan-4-yl]amino] 9-(diaminomethylideneamino)nonanoate
CID 10075974
amino 7-hydroxytetradecanoate
CID 57067811
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]octanedioic acid
CID 91497944
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
2-(6-aminohexylamino)decanedioic acid
CID 140815288
sodium;diamino heptanedioate;hydride
CID 174435177

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid?
The IUPAC name of 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid (CID 174980846) is 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid.
What is the SMILES notation for 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid?
The canonical SMILES for 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid is NOC(=O)CCCC(=O)ONC(CCCCCCCCCCCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid?
The InChIKey is WQUDDELCUVMRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O8/c20-28-17(24)13-10-14-18(25)29-21-15(19(26)27)11-8-6-4-2-1-3-5-7-9-12-16(22)23/h15,21H,1-14,20H2,(H,22,23)(H,26,27).
What are the key properties of 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid?
2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid has a molecular weight of 418.49 g/mol, XLogP of 2.45, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid is sourced from PubChem (CID 174980846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).