2-(2-aminopropanoylamino)oxyacetic acid

C5H10N2O4 — CID 45122521

IUPAC2-(2-aminopropanoylamino)oxyacetic acid
SMILESCC(N)C(=O)NOCC(=O)O
InChIInChI=1S/C5H10N2O4/c1-3(6)5(10)7-11-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyXKFPUKMQTLWNES-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.53
Rot. Bonds4

About 2-(2-aminopropanoylamino)oxyacetic acid

2-(2-aminopropanoylamino)oxyacetic acid (PubChem CID 45122521) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)oxyacetic acid
PubChem CID45122521
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(2-aminopropanoylamino)oxyacetic acid
SMILESCC(N)C(=O)NOCC(=O)O
InChIInChI=1S/C5H10N2O4/c1-3(6)5(10)7-11-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyXKFPUKMQTLWNES-UHFFFAOYSA-N
XLogP-1.53
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
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-(2-aminopropanoylamino)oxyacetic acid?
The IUPAC name of 2-(2-aminopropanoylamino)oxyacetic acid (CID 45122521) is 2-(2-aminopropanoylamino)oxyacetic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)oxyacetic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)oxyacetic acid is CC(N)C(=O)NOCC(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)oxyacetic acid?
The InChIKey is XKFPUKMQTLWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(6)5(10)7-11-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 2-(2-aminopropanoylamino)oxyacetic acid?
2-(2-aminopropanoylamino)oxyacetic acid has a molecular weight of 162.14 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)oxyacetic acid is sourced from PubChem (CID 45122521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).