3-aminobutyl formate

C5H11NO2 — CID 58098450

IUPAC3-aminobutyl formate
SMILESCC(N)CCOC=O
InChIInChI=1S/C5H11NO2/c1-5(6)2-3-8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyUXEJPUZKDZDBQT-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds4

About 3-aminobutyl formate

3-aminobutyl formate (PubChem CID 58098450) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-aminobutyl formate.

Molecular Properties

Compound Name3-aminobutyl formate
PubChem CID58098450
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-aminobutyl formate
SMILESCC(N)CCOC=O
InChIInChI=1S/C5H11NO2/c1-5(6)2-3-8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyUXEJPUZKDZDBQT-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 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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Related Compounds

Isopropyl-ammonium formate
CID 129846545
[(3S,4R)-3-amino-4-fluoropentyl] formate
CID 134412825
[(3S,4S)-3-amino-4-fluoropentyl] formate
CID 134412829
Methyl formate;propan-2-amine
CID 19028510
3-Aminobutyl acetate
CID 20510069
1-Aminopropyl formate
CID 21756414
3-Aminopropyl formate
CID 54014224
1-Aminobutyl formate
CID 54260963
(3-Amino-2-methylpropyl) formate
CID 54333030
2-Aminopropyl formate
CID 54422686
3-(Methylamino)butyl formate
CID 118246397
4-Aminopentyl formate
CID 126717031

Frequently Asked Questions

What is the IUPAC name of 3-aminobutyl formate?
The IUPAC name of 3-aminobutyl formate (CID 58098450) is 3-aminobutyl formate.
What is the SMILES notation for 3-aminobutyl formate?
The canonical SMILES for 3-aminobutyl formate is CC(N)CCOC=O.
What is the InChIKey of 3-aminobutyl formate?
The InChIKey is UXEJPUZKDZDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(6)2-3-8-4-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-aminobutyl formate?
3-aminobutyl formate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl formate is sourced from PubChem (CID 58098450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).