formamido 2-[(2-methylpropan-2-yl)oxy]propanoate

C8H15NO4 — CID 87726174

IUPACformamido 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(OC(C)(C)C)C(=O)ONC=O
InChIInChI=1S/C8H15NO4/c1-6(12-8(2,3)4)7(11)13-9-5-10/h5-6H,1-4H3,(H,9,10)
InChIKeyDIDYRTIDAWIUEZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.39
Rot. Bonds4

About formamido 2-[(2-methylpropan-2-yl)oxy]propanoate

formamido 2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 87726174) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is formamido 2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nameformamido 2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID87726174
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameformamido 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(OC(C)(C)C)C(=O)ONC=O
InChIInChI=1S/C8H15NO4/c1-6(12-8(2,3)4)7(11)13-9-5-10/h5-6H,1-4H3,(H,9,10)
InChIKeyDIDYRTIDAWIUEZ-UHFFFAOYSA-N
XLogP0.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 formamido 2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of formamido 2-[(2-methylpropan-2-yl)oxy]propanoate (CID 87726174) is formamido 2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for formamido 2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for formamido 2-[(2-methylpropan-2-yl)oxy]propanoate is CC(OC(C)(C)C)C(=O)ONC=O.
What is the InChIKey of formamido 2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is DIDYRTIDAWIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(12-8(2,3)4)7(11)13-9-5-10/h5-6H,1-4H3,(H,9,10).
What are the key properties of formamido 2-[(2-methylpropan-2-yl)oxy]propanoate?
formamido 2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 189.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 87726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).