2-(ethylcarbamoylamino)oxyacetic acid

C5H10N2O4 — CID 53397416

IUPAC2-(ethylcarbamoylamino)oxyacetic acid
SMILESCCNC(=O)NOCC(=O)O
InChIInChI=1S/C5H10N2O4/c1-2-6-5(10)7-11-3-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10)
InChIKeyLBVLLPDBWHTZIR-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.68
Rot. Bonds4

About 2-(ethylcarbamoylamino)oxyacetic acid

2-(ethylcarbamoylamino)oxyacetic acid (PubChem CID 53397416) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)oxyacetic acid
PubChem CID53397416
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(ethylcarbamoylamino)oxyacetic acid
SMILESCCNC(=O)NOCC(=O)O
InChIInChI=1S/C5H10N2O4/c1-2-6-5(10)7-11-3-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10)
InChIKeyLBVLLPDBWHTZIR-UHFFFAOYSA-N
XLogP-0.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
CID 91667036
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
tert-butyl 2-(ethylcarbamoylamino)oxyacetate
CID 86658798
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
CID 113498388
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
CID 53397461
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
1,3-diethylurea;ethane
CID 142885504
2-[[(2R)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867444
2-(2-methylpropanoylamino)oxyacetic acid
CID 60668072
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]oxyacetic acid
CID 106037417
2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)oxyacetic acid?
The IUPAC name of 2-(ethylcarbamoylamino)oxyacetic acid (CID 53397416) is 2-(ethylcarbamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)oxyacetic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)oxyacetic acid is CCNC(=O)NOCC(=O)O.
What is the InChIKey of 2-(ethylcarbamoylamino)oxyacetic acid?
The InChIKey is LBVLLPDBWHTZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-2-6-5(10)7-11-3-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10).
What are the key properties of 2-(ethylcarbamoylamino)oxyacetic acid?
2-(ethylcarbamoylamino)oxyacetic acid has a molecular weight of 162.14 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)oxyacetic acid is sourced from PubChem (CID 53397416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).