ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate

C5H10N2O3 — CID 24976651

IUPACethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
SMILES[H]/N=C(/C(=O)OCC)N(C)O
InChIInChI=1S/C5H10N2O3/c1-3-10-5(8)4(6)7(2)9/h6,9H,3H2,1-2H3/b6-4-
InChIKeyMWSLQFVMLXMPBG-XQRVVYSFSA-N
MW146.15 g/mol
LogP-0.15
Rot. Bonds1

About ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate

ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate (PubChem CID 24976651) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
PubChem CID24976651
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Nameethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
SMILES[H]/N=C(/C(=O)OCC)N(C)O
InChIInChI=1S/C5H10N2O3/c1-3-10-5(8)4(6)7(2)9/h6,9H,3H2,1-2H3/b6-4-
InChIKeyMWSLQFVMLXMPBG-XQRVVYSFSA-N
XLogP-0.15
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 2-amino-2-iminoacetate
CID 19017716
CID 159689459
CID 159689459
ethyl 2-imino-3-sulfanylpropanoate
CID 23182282
ethyl 3-fluoro-2-iminopentanoate
CID 175270794
ethyl 2-imino-3,3-dimethylbutanoate
CID 134381367
CID 159370772
CID 159370772
ethyl 2-oxopropanoate;nitrous acid
CID 174912891
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
[(E)-2-ethoxycarbonyl-3-imino-5-methylhex-1-enyl]-methylazanium
CID 144666629
ethyl (3E)-3-hydroxyimino-2-iminopropanoate
CID 168935813
ethyl 2-carbonochloridimidoylsulfanyl-2-iminoacetate
CID 123831904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate?
The IUPAC name of ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate (CID 24976651) is ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate.
What is the SMILES notation for ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate?
The canonical SMILES for ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate is [H]/N=C(/C(=O)OCC)N(C)O.
What is the InChIKey of ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate?
The InChIKey is MWSLQFVMLXMPBG-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3-10-5(8)4(6)7(2)9/h6,9H,3H2,1-2H3/b6-4-.
What are the key properties of ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate?
ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate has a molecular weight of 146.15 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate is sourced from PubChem (CID 24976651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).