10-(2-aminoethylamino)oxy-10-oxodecanoic acid

C12H24N2O4 — CID 57065970

IUPAC10-(2-aminoethylamino)oxy-10-oxodecanoic acid
SMILESNCCNOC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c13-9-10-14-18-12(17)8-6-4-2-1-3-5-7-11(15)16/h14H,1-10,13H2,(H,15,16)
InChIKeyZFQAAZXCVSSONF-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.20
Rot. Bonds12

About 10-(2-aminoethylamino)oxy-10-oxodecanoic acid

10-(2-aminoethylamino)oxy-10-oxodecanoic acid (PubChem CID 57065970) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 10-(2-aminoethylamino)oxy-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(2-aminoethylamino)oxy-10-oxodecanoic acid
PubChem CID57065970
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name10-(2-aminoethylamino)oxy-10-oxodecanoic acid
SMILESNCCNOC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c13-9-10-14-18-12(17)8-6-4-2-1-3-5-7-11(15)16/h14H,1-10,13H2,(H,15,16)
InChIKeyZFQAAZXCVSSONF-UHFFFAOYSA-N
XLogP1.20
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

bis(2-aminoethylamino) nonanedioate
CID 88731142
4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc
CID 88642053
(2-aminoethylamino) octadecanoate
CID 87496709
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
9-[2-(2-aminoethoxy)ethoxy]-9-oxononanoic acid
CID 154032087
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
6-[[2-(aminomethyl)phenyl]methylamino]oxy-6-oxohexanoic acid
CID 139996760
(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615

Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethylamino)oxy-10-oxodecanoic acid?
The IUPAC name of 10-(2-aminoethylamino)oxy-10-oxodecanoic acid (CID 57065970) is 10-(2-aminoethylamino)oxy-10-oxodecanoic acid.
What is the SMILES notation for 10-(2-aminoethylamino)oxy-10-oxodecanoic acid?
The canonical SMILES for 10-(2-aminoethylamino)oxy-10-oxodecanoic acid is NCCNOC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-(2-aminoethylamino)oxy-10-oxodecanoic acid?
The InChIKey is ZFQAAZXCVSSONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c13-9-10-14-18-12(17)8-6-4-2-1-3-5-7-11(15)16/h14H,1-10,13H2,(H,15,16).
What are the key properties of 10-(2-aminoethylamino)oxy-10-oxodecanoic acid?
10-(2-aminoethylamino)oxy-10-oxodecanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.20, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-aminoethylamino)oxy-10-oxodecanoic acid is sourced from PubChem (CID 57065970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).