ethyl 2-amino-2-iminoacetate

C4H8N2O2 — CID 19017716

IUPACethyl 2-amino-2-iminoacetate
SMILES[H]/N=C(\N)C(=O)OCC
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3(5)6/h2H2,1H3,(H3,5,6)
InChIKeySAMSRYBWUYCCEM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.51
Rot. Bonds1

About ethyl 2-amino-2-iminoacetate

ethyl 2-amino-2-iminoacetate (PubChem CID 19017716) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethyl 2-amino-2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-iminoacetate
PubChem CID19017716
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameethyl 2-amino-2-iminoacetate
SMILES[H]/N=C(\N)C(=O)OCC
InChIInChI=1S/C4H8N2O2/c1-2-8-4(7)3(5)6/h2H2,1H3,(H3,5,6)
InChIKeySAMSRYBWUYCCEM-UHFFFAOYSA-N
XLogP-0.51
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23182282
ethyl 2-imino-3,3-dimethylbutanoate
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ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 2-[hydroxy(methyl)amino]-2-iminoacetate
CID 24976651
ethyl (E)-2-carbamimidoyl-3-(cyclopropylmethylamino)prop-2-enoate
CID 138515478
CID 159689459
CID 159689459
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (3E)-3-hydroxyimino-2-iminopropanoate
CID 168935813
ethyl 2-carbonochloridimidoylsulfanyl-2-iminoacetate
CID 123831904
ethyl 3-fluoro-2-iminopentanoate
CID 175270794
ethyl 2-methoxybut-2-enoate
CID 141457807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-iminoacetate?
The IUPAC name of ethyl 2-amino-2-iminoacetate (CID 19017716) is ethyl 2-amino-2-iminoacetate.
What is the SMILES notation for ethyl 2-amino-2-iminoacetate?
The canonical SMILES for ethyl 2-amino-2-iminoacetate is [H]/N=C(\N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-iminoacetate?
The InChIKey is SAMSRYBWUYCCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-8-4(7)3(5)6/h2H2,1H3,(H3,5,6).
What are the key properties of ethyl 2-amino-2-iminoacetate?
ethyl 2-amino-2-iminoacetate has a molecular weight of 116.12 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-iminoacetate is sourced from PubChem (CID 19017716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).