sodium N-aminocarbamate

CH3N2NaO2 — CID 23710633

IUPACsodium N-aminocarbamate
SMILESNNC(=O)[O-].[Na+]
InChIInChI=1S/CH4N2O2.Na/c2-3-1(4)5;/h3H,2H2,(H,4,5);/q;+1/p-1
InChIKeyCGHQUHYDOFAJFI-UHFFFAOYSA-M
MW98.04 g/mol
LogP-5.20
Rot. Bonds

About sodium N-aminocarbamate

sodium N-aminocarbamate (PubChem CID 23710633) has the molecular formula CH3N2NaO2 and a molecular weight of 98.04 g/mol. Its IUPAC name is sodium N-aminocarbamate.

Molecular Properties

Compound Namesodium N-aminocarbamate
PubChem CID23710633
Molecular FormulaCH3N2NaO2
Molecular Weight98.04 g/mol
Exact Mass98.01
IUPAC Namesodium N-aminocarbamate
SMILESNNC(=O)[O-].[Na+]
InChIInChI=1S/CH4N2O2.Na/c2-3-1(4)5;/h3H,2H2,(H,4,5);/q;+1/p-1
InChIKeyCGHQUHYDOFAJFI-UHFFFAOYSA-M
XLogP-5.20
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.04
LogP ≤ 5-5.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;titanium;carbonate
CID 174855593
hexadecasodium;octacarbonate
CID 141056250
N-aminocarbamate;1H-imidazol-3-ium
CID 158208230
dipotassium;disodium;dicarbonate
CID 23505264
sodium;silicon(4+);carbonate
CID 158531104
sodium;niobium(5+);tricarbonate
CID 174578082
sodium;lanthanum(3+);dicarbonate
CID 14550042
trisodium;zirconium(4+);carbonate
CID 160948124
potassium;hafnium(4+);carbonate
CID 19377245
disodium;carbonate;hydrate
CID 2735133
1,3-diaminourea;phosphane
CID 159962214
magnesium 1,3-diaminourea
CID 22123853

Frequently Asked Questions

What is the IUPAC name of sodium N-aminocarbamate?
The IUPAC name of sodium N-aminocarbamate (CID 23710633) is sodium N-aminocarbamate.
What is the SMILES notation for sodium N-aminocarbamate?
The canonical SMILES for sodium N-aminocarbamate is NNC(=O)[O-].[Na+].
What is the InChIKey of sodium N-aminocarbamate?
The InChIKey is CGHQUHYDOFAJFI-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4N2O2.Na/c2-3-1(4)5;/h3H,2H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium N-aminocarbamate?
sodium N-aminocarbamate has a molecular weight of 98.04 g/mol, XLogP of -5.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-aminocarbamate is sourced from PubChem (CID 23710633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).