ethyl 2-cyano-2-(hydroxyamino)acetate;uranium

C5H8N2O3U — CID 170168118

IUPACethyl 2-cyano-2-(hydroxyamino)acetate;uranium
SMILESCCOC(=O)C(C#N)NO.[U]
InChIInChI=1S/C5H8N2O3.U/c1-2-10-5(8)4(3-6)7-9;/h4,7,9H,2H2,1H3;
InChIKeyAXVXELOQRCJGDW-UHFFFAOYSA-N
MW382.16 g/mol
LogP-0.58
Rot. Bonds3

About ethyl 2-cyano-2-(hydroxyamino)acetate;uranium

ethyl 2-cyano-2-(hydroxyamino)acetate;uranium (PubChem CID 170168118) has the molecular formula C5H8N2O3U and a molecular weight of 382.16 g/mol. Its IUPAC name is ethyl 2-cyano-2-(hydroxyamino)acetate;uranium.

Molecular Properties

Compound Nameethyl 2-cyano-2-(hydroxyamino)acetate;uranium
PubChem CID170168118
Molecular FormulaC5H8N2O3U
Molecular Weight382.16 g/mol
Exact Mass382.10
IUPAC Nameethyl 2-cyano-2-(hydroxyamino)acetate;uranium
SMILESCCOC(=O)C(C#N)NO.[U]
InChIInChI=1S/C5H8N2O3.U/c1-2-10-5(8)4(3-6)7-9;/h4,7,9H,2H2,1H3;
InChIKeyAXVXELOQRCJGDW-UHFFFAOYSA-N
XLogP-0.58
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate
CID 59865134
[(1S)-1-cyano-2-ethoxy-2-oxoethyl]azanium
CID 6955332
diethyl 2,4-dicyanopentanedioate
CID 15932776
potassium 2-cyano-3-ethoxy-3-oxopropan-1-olate
CID 21019425
ethyl (2S)-2-cyano-2-[(2,6-difluorobenzoyl)amino]acetate
CID 124560460
ethyl 2-(hydroxyamino)-3-oxobutanoate
CID 57252315
2,3-dicyano-4-ethoxy-4-oxobutanoic acid
CID 90947432
acetonitrile;ethyl acetate;heptane
CID 159862103
ethyl 2-cyano-3-methyl-5-oxohexanoate
CID 11019822
ethyl 2-cyano-3,4-dimethyl-5-oxohexanoate
CID 121223182
acetonitrile;ethyl acetate
CID 158437642
bis(acetonitrile);ethyl acetate
CID 87902691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(hydroxyamino)acetate;uranium?
The IUPAC name of ethyl 2-cyano-2-(hydroxyamino)acetate;uranium (CID 170168118) is ethyl 2-cyano-2-(hydroxyamino)acetate;uranium.
What is the SMILES notation for ethyl 2-cyano-2-(hydroxyamino)acetate;uranium?
The canonical SMILES for ethyl 2-cyano-2-(hydroxyamino)acetate;uranium is CCOC(=O)C(C#N)NO.[U].
What is the InChIKey of ethyl 2-cyano-2-(hydroxyamino)acetate;uranium?
The InChIKey is AXVXELOQRCJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3.U/c1-2-10-5(8)4(3-6)7-9;/h4,7,9H,2H2,1H3;.
What are the key properties of ethyl 2-cyano-2-(hydroxyamino)acetate;uranium?
ethyl 2-cyano-2-(hydroxyamino)acetate;uranium has a molecular weight of 382.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(hydroxyamino)acetate;uranium is sourced from PubChem (CID 170168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).