2-(didecylamino)oxy-2-oxoacetic acid

C22H43NO4 — CID 175454958

IUPAC2-(didecylamino)oxy-2-oxoacetic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)OC(=O)C(=O)O
InChIInChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-17-19-23(27-22(26)21(24)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,25)
InChIKeySRZAAMQLHANVLD-UHFFFAOYSA-N
MW385.59 g/mol
LogP6.11
Rot. Bonds19

About 2-(didecylamino)oxy-2-oxoacetic acid

2-(didecylamino)oxy-2-oxoacetic acid (PubChem CID 175454958) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is 2-(didecylamino)oxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-(didecylamino)oxy-2-oxoacetic acid
PubChem CID175454958
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Name2-(didecylamino)oxy-2-oxoacetic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)OC(=O)C(=O)O
InChIInChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-17-19-23(27-22(26)21(24)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,25)
InChIKeySRZAAMQLHANVLD-UHFFFAOYSA-N
XLogP6.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(methyl)carbamic acid
CID 15173799
icosane;oxalic acid
CID 175691290
(dibutylamino) propanoate
CID 154448533
hexyl(octadecyl)carbamic acid
CID 87702094
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
(didodecylamino) dihydrogen phosphate
CID 174994994
2-nonylperoxy-2-oxoacetic acid
CID 175494267
(dioctylamino) 9-ethylundecanoate
CID 178167166
(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-(dimethylamino)ethyl]amino]decanoate
CID 171586184
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
CID 87839414
CID 87839414

Frequently Asked Questions

What is the IUPAC name of 2-(didecylamino)oxy-2-oxoacetic acid?
The IUPAC name of 2-(didecylamino)oxy-2-oxoacetic acid (CID 175454958) is 2-(didecylamino)oxy-2-oxoacetic acid.
What is the SMILES notation for 2-(didecylamino)oxy-2-oxoacetic acid?
The canonical SMILES for 2-(didecylamino)oxy-2-oxoacetic acid is CCCCCCCCCCN(CCCCCCCCCC)OC(=O)C(=O)O.
What is the InChIKey of 2-(didecylamino)oxy-2-oxoacetic acid?
The InChIKey is SRZAAMQLHANVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-3-5-7-9-11-13-15-17-19-23(27-22(26)21(24)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,25).
What are the key properties of 2-(didecylamino)oxy-2-oxoacetic acid?
2-(didecylamino)oxy-2-oxoacetic acid has a molecular weight of 385.59 g/mol, XLogP of 6.11, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(didecylamino)oxy-2-oxoacetic acid is sourced from PubChem (CID 175454958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).