4-aminobutyl formate

C5H11NO2 — CID 54484676

IUPAC4-aminobutyl formate
SMILESNCCCCOC=O
InChIInChI=1S/C5H11NO2/c6-3-1-2-4-8-5-7/h5H,1-4,6H2
InChIKeyZGKTZLKVUZAQSG-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds5

About 4-aminobutyl formate

4-aminobutyl formate (PubChem CID 54484676) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-aminobutyl formate.

Molecular Properties

Compound Name4-aminobutyl formate
PubChem CID54484676
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name4-aminobutyl formate
SMILESNCCCCOC=O
InChIInChI=1S/C5H11NO2/c6-3-1-2-4-8-5-7/h5H,1-4,6H2
InChIKeyZGKTZLKVUZAQSG-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl formate?
The IUPAC name of 4-aminobutyl formate (CID 54484676) is 4-aminobutyl formate.
What is the SMILES notation for 4-aminobutyl formate?
The canonical SMILES for 4-aminobutyl formate is NCCCCOC=O.
What is the InChIKey of 4-aminobutyl formate?
The InChIKey is ZGKTZLKVUZAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-3-1-2-4-8-5-7/h5H,1-4,6H2.
What are the key properties of 4-aminobutyl formate?
4-aminobutyl formate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl formate is sourced from PubChem (CID 54484676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).