2-carbamoyliminoethyl acetate

C5H8N2O3 — CID 91293820

IUPAC2-carbamoyliminoethyl acetate
SMILESCC(=O)OCC=NC(N)=O
InChIInChI=1S/C5H8N2O3/c1-4(8)10-3-2-7-5(6)9/h2H,3H2,1H3,(H2,6,9)
InChIKeyJVXUZSWQTSFPEE-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.30
Rot. Bonds2

About 2-carbamoyliminoethyl acetate

2-carbamoyliminoethyl acetate (PubChem CID 91293820) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-carbamoyliminoethyl acetate.

Molecular Properties

Compound Name2-carbamoyliminoethyl acetate
PubChem CID91293820
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-carbamoyliminoethyl acetate
SMILESCC(=O)OCC=NC(N)=O
InChIInChI=1S/C5H8N2O3/c1-4(8)10-3-2-7-5(6)9/h2H,3H2,1H3,(H2,6,9)
InChIKeyJVXUZSWQTSFPEE-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
(2-Ethoxy-2-oxoethylidene)-methylazanium
CID 164670851
ethyl (2E)-2-methoxycarbonyliminoacetate
CID 11309660
ethyl (2Z)-2-methoxycarbonyliminoacetate
CID 134870381
Ethyl 4-carbamoyliminobutanoate
CID 57241300
2-(2-Carbamoyliminoethoxy)ethylideneurea
CID 57301603
Ethyl 3-carbamoylimino-2-methylpropanoate
CID 57316403
2-Methoxyethylideneurea
CID 91020295
2-(2-Methoxyethoxy)ethylideneurea
CID 91281519
Ethyl 2-carbamoyliminoacetate
CID 139668101
Ethyl 2-cyanoiminoacetate
CID 141199779
(2-Ethoxy-2-oxoethylidene)azanium;methanamine
CID 144020682

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyliminoethyl acetate?
The IUPAC name of 2-carbamoyliminoethyl acetate (CID 91293820) is 2-carbamoyliminoethyl acetate.
What is the SMILES notation for 2-carbamoyliminoethyl acetate?
The canonical SMILES for 2-carbamoyliminoethyl acetate is CC(=O)OCC=NC(N)=O.
What is the InChIKey of 2-carbamoyliminoethyl acetate?
The InChIKey is JVXUZSWQTSFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-4(8)10-3-2-7-5(6)9/h2H,3H2,1H3,(H2,6,9).
What are the key properties of 2-carbamoyliminoethyl acetate?
2-carbamoyliminoethyl acetate 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 2-carbamoyliminoethyl acetate is sourced from PubChem (CID 91293820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).