ethyl 2-iminoacetate

C4H7NO2 — CID 11274975

IUPACethyl 2-iminoacetate
SMILES[H]/N=C/C(=O)OCC
InChIInChI=1S/C4H7NO2/c1-2-7-4(6)3-5/h3,5H,2H2,1H3/b5-3+
InChIKeyFCZFPMKLLXTSNP-HWKANZROSA-N
MW101.10 g/mol
LogP0.20
Rot. Bonds2

About ethyl 2-iminoacetate

ethyl 2-iminoacetate (PubChem CID 11274975) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is ethyl 2-iminoacetate.

Molecular Properties

Compound Nameethyl 2-iminoacetate
PubChem CID11274975
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Nameethyl 2-iminoacetate
SMILES[H]/N=C/C(=O)OCC
InChIInChI=1S/C4H7NO2/c1-2-7-4(6)3-5/h3,5H,2H2,1H3/b5-3+
InChIKeyFCZFPMKLLXTSNP-HWKANZROSA-N
XLogP0.20
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl diazoacetate
CID 12192
Acetic acid, diazo-, ethyl ester
CID 135542867
ethyl N-fluoroiminoacetate
CID 129811337
2-Oxoacetic acid, ethyl ester, oxime
CID 9601339
Ethyl chloro(hydroxyimino) acetate
CID 15290250
Iminoacetic methyl ester
CID 20205362
Ethyl acetoamidate hydrochloride; Ethyl acetocarboximidate hydrochloride; Ethyl acetoimidate hydrochloride; Ethyl ethanimidate hydrochloride
CID 23624092
Ethyl 2-(hydroxyimino)acetate
CID 44135564
Acetic acid, (ethoxyimino)-, ethyl ester
CID 53419141
Ethyl chloroiminoacetate
CID 53854690
Ethyl [(chlorooxy)imino]acetate
CID 54292321
Ethyl 2-methyliminoacetate
CID 57935279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iminoacetate?
The IUPAC name of ethyl 2-iminoacetate (CID 11274975) is ethyl 2-iminoacetate.
What is the SMILES notation for ethyl 2-iminoacetate?
The canonical SMILES for ethyl 2-iminoacetate is [H]/N=C/C(=O)OCC.
What is the InChIKey of ethyl 2-iminoacetate?
The InChIKey is FCZFPMKLLXTSNP-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-7-4(6)3-5/h3,5H,2H2,1H3/b5-3+.
What are the key properties of ethyl 2-iminoacetate?
ethyl 2-iminoacetate has a molecular weight of 101.10 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iminoacetate is sourced from PubChem (CID 11274975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).