2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate

C8H15NO4 — CID 87925027

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate
SMILESCC(C)(C)ON(C=O)CCOC=O
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-9(6-10)4-5-12-7-11/h6-7H,4-5H2,1-3H3
InChIKeyKCTKDRBIBQHYQO-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.35
Rot. Bonds6

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate (PubChem CID 87925027) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate
PubChem CID87925027
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate
SMILESCC(C)(C)ON(C=O)CCOC=O
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-9(6-10)4-5-12-7-11/h6-7H,4-5H2,1-3H3
InChIKeyKCTKDRBIBQHYQO-UHFFFAOYSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate (CID 87925027) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate is CC(C)(C)ON(C=O)CCOC=O.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate?
The InChIKey is KCTKDRBIBQHYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)13-9(6-10)4-5-12-7-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate has a molecular weight of 189.21 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate is sourced from PubChem (CID 87925027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).