ethyl 2-carbamoyliminoacetate

C5H8N2O3 — CID 139668101

IUPACethyl 2-carbamoyliminoacetate
SMILESCCOC(=O)C=NC(N)=O
InChIInChI=1S/C5H8N2O3/c1-2-10-4(8)3-7-5(6)9/h3H,2H2,1H3,(H2,6,9)
InChIKeyNCAJKSKINWDLMW-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.30
Rot. Bonds2

About ethyl 2-carbamoyliminoacetate

ethyl 2-carbamoyliminoacetate (PubChem CID 139668101) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is ethyl 2-carbamoyliminoacetate.

Molecular Properties

Compound Nameethyl 2-carbamoyliminoacetate
PubChem CID139668101
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Nameethyl 2-carbamoyliminoacetate
SMILESCCOC(=O)C=NC(N)=O
InChIInChI=1S/C5H8N2O3/c1-2-10-4(8)3-7-5(6)9/h3H,2H2,1H3,(H2,6,9)
InChIKeyNCAJKSKINWDLMW-UHFFFAOYSA-N
XLogP-0.30
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.30
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

Acetic acid, (acetylimino)-, ethyl ester
CID 9989372
Ethyl 2-methyliminoacetate
CID 57935279
Ethyl 2-ethyliminoacetate
CID 123445032
(2-Ethoxy-2-oxoethylidene)-methylazanium
CID 164670851
Ethyl (2E)-[(ethoxycarbonyl)imino]acetate
CID 11252280
ethyl (2E)-2-methoxycarbonyliminoacetate
CID 11309660
ethyl (2Z)-2-ethoxycarbonyliminoacetate
CID 45122897
ethyl (2Z)-2-methoxycarbonyliminoacetate
CID 134870381
2-Carbamoyliminoethyl acetate
CID 91293820
(2-Ethoxy-2-oxoethylidene)azanium
CID 140652197
Ethyl 2-cyanoiminoacetate;hydrochloride
CID 141199778
Ethyl 2-cyanoiminoacetate
CID 141199779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-carbamoyliminoacetate?
The IUPAC name of ethyl 2-carbamoyliminoacetate (CID 139668101) is ethyl 2-carbamoyliminoacetate.
What is the SMILES notation for ethyl 2-carbamoyliminoacetate?
The canonical SMILES for ethyl 2-carbamoyliminoacetate is CCOC(=O)C=NC(N)=O.
What is the InChIKey of ethyl 2-carbamoyliminoacetate?
The InChIKey is NCAJKSKINWDLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2-10-4(8)3-7-5(6)9/h3H,2H2,1H3,(H2,6,9).
What are the key properties of ethyl 2-carbamoyliminoacetate?
ethyl 2-carbamoyliminoacetate has a molecular weight of 144.13 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-carbamoyliminoacetate is sourced from PubChem (CID 139668101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).