carbamimidoyl N-aminocarbamate

C2H6N4O2 — CID 174816859

IUPACcarbamimidoyl N-aminocarbamate
SMILES[H]/N=C(\N)OC(=O)NN
InChIInChI=1S/C2H6N4O2/c3-1(4)8-2(7)6-5/h5H2,(H3,3,4)(H,6,7)
InChIKeyGUOBVGQXEXTHEF-UHFFFAOYSA-N
MW118.10 g/mol
LogP-1.52
Rot. Bonds

About carbamimidoyl N-aminocarbamate

carbamimidoyl N-aminocarbamate (PubChem CID 174816859) has the molecular formula C2H6N4O2 and a molecular weight of 118.10 g/mol. Its IUPAC name is carbamimidoyl N-aminocarbamate.

Molecular Properties

Compound Namecarbamimidoyl N-aminocarbamate
PubChem CID174816859
Molecular FormulaC2H6N4O2
Molecular Weight118.10 g/mol
Exact Mass118.05
IUPAC Namecarbamimidoyl N-aminocarbamate
SMILES[H]/N=C(\N)OC(=O)NN
InChIInChI=1S/C2H6N4O2/c3-1(4)8-2(7)6-5/h5H2,(H3,3,4)(H,6,7)
InChIKeyGUOBVGQXEXTHEF-UHFFFAOYSA-N
XLogP-1.52
TPSA114.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbamimidoyl N-benzylcarbamate
CID 68502456
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CID 141431233
(Z)-4-carbamimidoyloxy-4-oxobut-2-enoic acid
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[amino(carbamimidoyloxy)methylidene]azanium nitrate
CID 90476435
carbamimidoyl pentanoate;copper
CID 175946944
carbamimidoyl (1Z)-ethanehydrazonate
CID 67943615
chloro carbamimidate
CID 19087492
ethanimidamide;propan-2-one;titanium
CID 158445220
hydrazinecarbonyl 2-methylpent-2-enoate
CID 173089378
tert-butyl N-aminocarbamoperoxoate
CID 87183092
CID 175407377
CID 175407377
tert-butyl N-(1,2-diamino-2-iminoethyl)carbamate
CID 87503014

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl N-aminocarbamate?
The IUPAC name of carbamimidoyl N-aminocarbamate (CID 174816859) is carbamimidoyl N-aminocarbamate.
What is the SMILES notation for carbamimidoyl N-aminocarbamate?
The canonical SMILES for carbamimidoyl N-aminocarbamate is [H]/N=C(\N)OC(=O)NN.
What is the InChIKey of carbamimidoyl N-aminocarbamate?
The InChIKey is GUOBVGQXEXTHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O2/c3-1(4)8-2(7)6-5/h5H2,(H3,3,4)(H,6,7).
What are the key properties of carbamimidoyl N-aminocarbamate?
carbamimidoyl N-aminocarbamate has a molecular weight of 118.10 g/mol, XLogP of -1.52, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl N-aminocarbamate is sourced from PubChem (CID 174816859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).