amino(dimethylamino)carbamic acid

C3H9N3O2 — CID 151360954

IUPACamino(dimethylamino)carbamic acid
SMILESCN(C)N(N)C(=O)O
InChIInChI=1S/C3H9N3O2/c1-5(2)6(4)3(7)8/h4H2,1-2H3,(H,7,8)
InChIKeyOOLUTLMKZDDTKG-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.68
Rot. Bonds1

About amino(dimethylamino)carbamic acid

amino(dimethylamino)carbamic acid (PubChem CID 151360954) has the molecular formula C3H9N3O2 and a molecular weight of 119.12 g/mol. Its IUPAC name is amino(dimethylamino)carbamic acid.

Molecular Properties

Compound Nameamino(dimethylamino)carbamic acid
PubChem CID151360954
Molecular FormulaC3H9N3O2
Molecular Weight119.12 g/mol
Exact Mass119.07
IUPAC Nameamino(dimethylamino)carbamic acid
SMILESCN(C)N(N)C(=O)O
InChIInChI=1S/C3H9N3O2/c1-5(2)6(4)3(7)8/h4H2,1-2H3,(H,7,8)
InChIKeyOOLUTLMKZDDTKG-UHFFFAOYSA-N
XLogP-0.68
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.68
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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Frequently Asked Questions

What is the IUPAC name of amino(dimethylamino)carbamic acid?
The IUPAC name of amino(dimethylamino)carbamic acid (CID 151360954) is amino(dimethylamino)carbamic acid.
What is the SMILES notation for amino(dimethylamino)carbamic acid?
The canonical SMILES for amino(dimethylamino)carbamic acid is CN(C)N(N)C(=O)O.
What is the InChIKey of amino(dimethylamino)carbamic acid?
The InChIKey is OOLUTLMKZDDTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2/c1-5(2)6(4)3(7)8/h4H2,1-2H3,(H,7,8).
What are the key properties of amino(dimethylamino)carbamic acid?
amino(dimethylamino)carbamic acid has a molecular weight of 119.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(dimethylamino)carbamic acid is sourced from PubChem (CID 151360954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).