6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid

C11H21NO4 — CID 19996314

IUPAC6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid
SMILESCC(C)(C)ON(C=O)CCCCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-12(9-13)8-6-4-5-7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyDXGQUVYSPHEMPK-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.82
Rot. Bonds8

About 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid

6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid (PubChem CID 19996314) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid.

Molecular Properties

Compound Name6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid
PubChem CID19996314
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid
SMILESCC(C)(C)ON(C=O)CCCCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-12(9-13)8-6-4-5-7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyDXGQUVYSPHEMPK-UHFFFAOYSA-N
XLogP1.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid?
The IUPAC name of 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid (CID 19996314) is 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid.
What is the SMILES notation for 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid?
The canonical SMILES for 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid is CC(C)(C)ON(C=O)CCCCCC(=O)O.
What is the InChIKey of 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid?
The InChIKey is DXGQUVYSPHEMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-12(9-13)8-6-4-5-7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid?
6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[formyl-[(2-methylpropan-2-yl)oxy]amino]hexanoic acid is sourced from PubChem (CID 19996314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).