methyl N-butyl-N-hydroxycarbamate

C6H13NO3 — CID 87729012

IUPACmethyl N-butyl-N-hydroxycarbamate
SMILESCCCCN(O)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-4-5-7(9)6(8)10-2/h9H,3-5H2,1-2H3
InChIKeyHYKQIPXMJYDDLN-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.24
Rot. Bonds3

About methyl N-butyl-N-hydroxycarbamate

methyl N-butyl-N-hydroxycarbamate (PubChem CID 87729012) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl N-butyl-N-hydroxycarbamate.

Molecular Properties

Compound Namemethyl N-butyl-N-hydroxycarbamate
PubChem CID87729012
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl N-butyl-N-hydroxycarbamate
SMILESCCCCN(O)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-4-5-7(9)6(8)10-2/h9H,3-5H2,1-2H3
InChIKeyHYKQIPXMJYDDLN-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

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amino N-butyl-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-butyl-N-hydroxycarbamate?
The IUPAC name of methyl N-butyl-N-hydroxycarbamate (CID 87729012) is methyl N-butyl-N-hydroxycarbamate.
What is the SMILES notation for methyl N-butyl-N-hydroxycarbamate?
The canonical SMILES for methyl N-butyl-N-hydroxycarbamate is CCCCN(O)C(=O)OC.
What is the InChIKey of methyl N-butyl-N-hydroxycarbamate?
The InChIKey is HYKQIPXMJYDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4-5-7(9)6(8)10-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl N-butyl-N-hydroxycarbamate?
methyl N-butyl-N-hydroxycarbamate has a molecular weight of 147.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butyl-N-hydroxycarbamate is sourced from PubChem (CID 87729012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).