2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate

C8H14N4O4 — CID 5355328

IUPAC2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OCCOC(=O)/N=C(\C)N
InChIInChI=1S/C8H14N4O4/c1-5(9)11-7(13)15-3-4-16-8(14)12-6(2)10/h3-4H2,1-2H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyILMCFBWALJABIS-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.01
Rot. Bonds3

About 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate

2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 5355328) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Name2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID5355328
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)OCCOC(=O)/N=C(\C)N
InChIInChI=1S/C8H14N4O4/c1-5(9)11-7(13)15-3-4-16-8(14)12-6(2)10/h3-4H2,1-2H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyILMCFBWALJABIS-UHFFFAOYSA-N
XLogP0.01
TPSA129.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate (CID 5355328) is 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate is C/C(N)=N/C(=O)OCCOC(=O)/N=C(\C)N.
What is the InChIKey of 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate?
The InChIKey is ILMCFBWALJABIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-5(9)11-7(13)15-3-4-16-8(14)12-6(2)10/h3-4H2,1-2H3,(H2,9,11,13)(H2,10,12,14).
What are the key properties of 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate?
2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate has a molecular weight of 230.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 5355328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).