1-(methylcarbamoyloxy)butyl butanoate

C10H19NO4 — CID 88882928

IUPAC1-(methylcarbamoyloxy)butyl butanoate
SMILESCCCC(=O)OC(CCC)OC(=O)NC
InChIInChI=1S/C10H19NO4/c1-4-6-8(12)14-9(7-5-2)15-10(13)11-3/h9H,4-7H2,1-3H3,(H,11,13)
InChIKeyFYIYZNZCFCKOLH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.81
Rot. Bonds6

About 1-(methylcarbamoyloxy)butyl butanoate

1-(methylcarbamoyloxy)butyl butanoate (PubChem CID 88882928) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(methylcarbamoyloxy)butyl butanoate.

Molecular Properties

Compound Name1-(methylcarbamoyloxy)butyl butanoate
PubChem CID88882928
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(methylcarbamoyloxy)butyl butanoate
SMILESCCCC(=O)OC(CCC)OC(=O)NC
InChIInChI=1S/C10H19NO4/c1-4-6-8(12)14-9(7-5-2)15-10(13)11-3/h9H,4-7H2,1-3H3,(H,11,13)
InChIKeyFYIYZNZCFCKOLH-UHFFFAOYSA-N
XLogP1.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylcarbamoyloxy)butyl butanoate?
The IUPAC name of 1-(methylcarbamoyloxy)butyl butanoate (CID 88882928) is 1-(methylcarbamoyloxy)butyl butanoate.
What is the SMILES notation for 1-(methylcarbamoyloxy)butyl butanoate?
The canonical SMILES for 1-(methylcarbamoyloxy)butyl butanoate is CCCC(=O)OC(CCC)OC(=O)NC.
What is the InChIKey of 1-(methylcarbamoyloxy)butyl butanoate?
The InChIKey is FYIYZNZCFCKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-6-8(12)14-9(7-5-2)15-10(13)11-3/h9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-(methylcarbamoyloxy)butyl butanoate?
1-(methylcarbamoyloxy)butyl butanoate has a molecular weight of 217.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylcarbamoyloxy)butyl butanoate is sourced from PubChem (CID 88882928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).