[amino(ethyl)amino] hydrogen carbonate

C3H8N2O3 — CID 174793362

IUPAC[amino(ethyl)amino] hydrogen carbonate
SMILESCCN(N)OC(=O)O
InChIInChI=1S/C3H8N2O3/c1-2-5(4)8-3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyJLPYLHLUZPKXDV-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.21
Rot. Bonds2

About [amino(ethyl)amino] hydrogen carbonate

[amino(ethyl)amino] hydrogen carbonate (PubChem CID 174793362) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is [amino(ethyl)amino] hydrogen carbonate.

Molecular Properties

Compound Name[amino(ethyl)amino] hydrogen carbonate
PubChem CID174793362
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Name[amino(ethyl)amino] hydrogen carbonate
SMILESCCN(N)OC(=O)O
InChIInChI=1S/C3H8N2O3/c1-2-5(4)8-3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyJLPYLHLUZPKXDV-UHFFFAOYSA-N
XLogP-0.21
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino(ethyl)amino] hydrogen carbonate?
The IUPAC name of [amino(ethyl)amino] hydrogen carbonate (CID 174793362) is [amino(ethyl)amino] hydrogen carbonate.
What is the SMILES notation for [amino(ethyl)amino] hydrogen carbonate?
The canonical SMILES for [amino(ethyl)amino] hydrogen carbonate is CCN(N)OC(=O)O.
What is the InChIKey of [amino(ethyl)amino] hydrogen carbonate?
The InChIKey is JLPYLHLUZPKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c1-2-5(4)8-3(6)7/h2,4H2,1H3,(H,6,7).
What are the key properties of [amino(ethyl)amino] hydrogen carbonate?
[amino(ethyl)amino] hydrogen carbonate has a molecular weight of 120.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethyl)amino] hydrogen carbonate is sourced from PubChem (CID 174793362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).