2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid

C11H20N2O3 — CID 77055342

IUPAC2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid
SMILESCCCN1CCCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-6-13-7-3-4-10(5-8-13)12-16-9-11(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyRRTZXSVJDFLAAJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds5

About 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid

2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid (PubChem CID 77055342) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid
PubChem CID77055342
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid
SMILESCCCN1CCCC(=NOCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-2-6-13-7-3-4-10(5-8-13)12-16-9-11(14)15/h2-9H2,1H3,(H,14,15)
InChIKeyRRTZXSVJDFLAAJ-UHFFFAOYSA-N
XLogP1.34
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid (CID 77055342) is 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid is CCCN1CCCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid?
The InChIKey is RRTZXSVJDFLAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-6-13-7-3-4-10(5-8-13)12-16-9-11(14)15/h2-9H2,1H3,(H,14,15).
What are the key properties of 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid?
2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylazepan-4-ylidene)amino]oxyacetic acid is sourced from PubChem (CID 77055342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).