3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid

C10H19NO4 — CID 174326235

IUPAC3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
SMILESCCC(C=O)C(NOC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-7(6-12)8(9(13)14)11-15-10(2,3)4/h6-8,11H,5H2,1-4H3,(H,13,14)
InChIKeyFEJGBSQEVUZDCP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.98
Rot. Bonds6

About 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid

3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid (PubChem CID 174326235) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid.

Molecular Properties

Compound Name3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
PubChem CID174326235
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid
SMILESCCC(C=O)C(NOC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-7(6-12)8(9(13)14)11-15-10(2,3)4/h6-8,11H,5H2,1-4H3,(H,13,14)
InChIKeyFEJGBSQEVUZDCP-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
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 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The IUPAC name of 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid (CID 174326235) is 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid.
What is the SMILES notation for 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The canonical SMILES for 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid is CCC(C=O)C(NOC(C)(C)C)C(=O)O.
What is the InChIKey of 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
The InChIKey is FEJGBSQEVUZDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(6-12)8(9(13)14)11-15-10(2,3)4/h6-8,11H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid?
3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-[(2-methylpropan-2-yl)oxyamino]pentanoic acid is sourced from PubChem (CID 174326235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).