2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid

C9H18N2O6 — CID 91667036

IUPAC2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
SMILESCCOC(CNC(=O)NOCC(=O)O)OCC
InChIInChI=1S/C9H18N2O6/c1-3-15-8(16-4-2)5-10-9(14)11-17-6-7(12)13/h8H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyBJAASSIPNAEONG-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.30
Rot. Bonds9

About 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid

2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid (PubChem CID 91667036) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
PubChem CID91667036
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Name2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
SMILESCCOC(CNC(=O)NOCC(=O)O)OCC
InChIInChI=1S/C9H18N2O6/c1-3-15-8(16-4-2)5-10-9(14)11-17-6-7(12)13/h8H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyBJAASSIPNAEONG-UHFFFAOYSA-N
XLogP-0.30
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
2-amino-N-(2,2-diethoxyethyl)-2-methylpropanamide
CID 79548402
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
1-(2,2-diethoxyethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895659
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
1-(cyclohexylidenemethyl)-3-(2,2-diethoxyethyl)urea
CID 108912721

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid?
The IUPAC name of 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid (CID 91667036) is 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid?
The canonical SMILES for 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid is CCOC(CNC(=O)NOCC(=O)O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid?
The InChIKey is BJAASSIPNAEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6/c1-3-15-8(16-4-2)5-10-9(14)11-17-6-7(12)13/h8H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid?
2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid has a molecular weight of 250.25 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid is sourced from PubChem (CID 91667036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).