amino N-butyl-N-hydroxycarbamate

C5H12N2O3 — CID 174824959

IUPACamino N-butyl-N-hydroxycarbamate
SMILESCCCCN(O)C(=O)ON
InChIInChI=1S/C5H12N2O3/c1-2-3-4-7(9)5(8)10-6/h9H,2-4,6H2,1H3
InChIKeyTXXUJEMQHBJKDB-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.49
Rot. Bonds3

About amino N-butyl-N-hydroxycarbamate

amino N-butyl-N-hydroxycarbamate (PubChem CID 174824959) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is amino N-butyl-N-hydroxycarbamate.

Molecular Properties

Compound Nameamino N-butyl-N-hydroxycarbamate
PubChem CID174824959
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Nameamino N-butyl-N-hydroxycarbamate
SMILESCCCCN(O)C(=O)ON
InChIInChI=1S/C5H12N2O3/c1-2-3-4-7(9)5(8)10-6/h9H,2-4,6H2,1H3
InChIKeyTXXUJEMQHBJKDB-UHFFFAOYSA-N
XLogP0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-butyl-N-hydroxycarbamate?
The IUPAC name of amino N-butyl-N-hydroxycarbamate (CID 174824959) is amino N-butyl-N-hydroxycarbamate.
What is the SMILES notation for amino N-butyl-N-hydroxycarbamate?
The canonical SMILES for amino N-butyl-N-hydroxycarbamate is CCCCN(O)C(=O)ON.
What is the InChIKey of amino N-butyl-N-hydroxycarbamate?
The InChIKey is TXXUJEMQHBJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-2-3-4-7(9)5(8)10-6/h9H,2-4,6H2,1H3.
What are the key properties of amino N-butyl-N-hydroxycarbamate?
amino N-butyl-N-hydroxycarbamate has a molecular weight of 148.16 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-butyl-N-hydroxycarbamate is sourced from PubChem (CID 174824959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).