2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid

C8H13NO4 — CID 107000421

IUPAC2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid
SMILESCC1(C)CC1C(=O)NOCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(2)3-5(8)7(12)9-13-4-6(10)11/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyUXDRVTHYQXNYOU-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.16
Rot. Bonds4

About 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid

2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid (PubChem CID 107000421) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid
PubChem CID107000421
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid
SMILESCC1(C)CC1C(=O)NOCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(2)3-5(8)7(12)9-13-4-6(10)11/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyUXDRVTHYQXNYOU-UHFFFAOYSA-N
XLogP0.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid (CID 107000421) is 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid is CC1(C)CC1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid?
The InChIKey is UXDRVTHYQXNYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2)3-5(8)7(12)9-13-4-6(10)11/h5H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid?
2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid has a molecular weight of 187.19 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid is sourced from PubChem (CID 107000421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).