1-aminobutyl formate

C5H11NO2 — CID 54260963

IUPAC1-aminobutyl formate
SMILESCCCC(N)OC=O
InChIInChI=1S/C5H11NO2/c1-2-3-5(6)8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyBQVXUAYRDWTVLT-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.24
Rot. Bonds4

About 1-aminobutyl formate

1-aminobutyl formate (PubChem CID 54260963) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-aminobutyl formate.

Molecular Properties

Compound Name1-aminobutyl formate
PubChem CID54260963
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-aminobutyl formate
SMILESCCCC(N)OC=O
InChIInChI=1S/C5H11NO2/c1-2-3-5(6)8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyBQVXUAYRDWTVLT-UHFFFAOYSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-aminobutyl formate?
The IUPAC name of 1-aminobutyl formate (CID 54260963) is 1-aminobutyl formate.
What is the SMILES notation for 1-aminobutyl formate?
The canonical SMILES for 1-aminobutyl formate is CCCC(N)OC=O.
What is the InChIKey of 1-aminobutyl formate?
The InChIKey is BQVXUAYRDWTVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-5(6)8-4-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-aminobutyl formate?
1-aminobutyl formate has a molecular weight of 117.15 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutyl formate is sourced from PubChem (CID 54260963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).