2-(ethoxycarbonylamino)oxyacetic acid

C5H9NO5 — CID 60661243

IUPAC2-(ethoxycarbonylamino)oxyacetic acid
SMILESCCOC(=O)NOCC(=O)O
InChIInChI=1S/C5H9NO5/c1-2-10-5(9)6-11-3-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8)
InChIKeyQNOJSOQGEFBHMH-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.25
Rot. Bonds4

About 2-(ethoxycarbonylamino)oxyacetic acid

2-(ethoxycarbonylamino)oxyacetic acid (PubChem CID 60661243) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)oxyacetic acid
PubChem CID60661243
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name2-(ethoxycarbonylamino)oxyacetic acid
SMILESCCOC(=O)NOCC(=O)O
InChIInChI=1S/C5H9NO5/c1-2-10-5(9)6-11-3-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8)
InChIKeyQNOJSOQGEFBHMH-UHFFFAOYSA-N
XLogP-0.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(ethoxycarbonylamino)oxyacetic acid?
The IUPAC name of 2-(ethoxycarbonylamino)oxyacetic acid (CID 60661243) is 2-(ethoxycarbonylamino)oxyacetic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)oxyacetic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)oxyacetic acid is CCOC(=O)NOCC(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)oxyacetic acid?
The InChIKey is QNOJSOQGEFBHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c1-2-10-5(9)6-11-3-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8).
What are the key properties of 2-(ethoxycarbonylamino)oxyacetic acid?
2-(ethoxycarbonylamino)oxyacetic acid has a molecular weight of 163.13 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)oxyacetic acid is sourced from PubChem (CID 60661243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).