2-aminopropyl formate

C4H9NO2 — CID 54422686

IUPAC2-aminopropyl formate
SMILESCC(N)COC=O
InChIInChI=1S/C4H9NO2/c1-4(5)2-7-3-6/h3-4H,2,5H2,1H3
InChIKeyCTFYUDGXEUCGME-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.49
Rot. Bonds3

About 2-aminopropyl formate

2-aminopropyl formate (PubChem CID 54422686) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-aminopropyl formate.

Molecular Properties

Compound Name2-aminopropyl formate
PubChem CID54422686
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-aminopropyl formate
SMILESCC(N)COC=O
InChIInChI=1S/C4H9NO2/c1-4(5)2-7-3-6/h3-4H,2,5H2,1H3
InChIKeyCTFYUDGXEUCGME-UHFFFAOYSA-N
XLogP-0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropyl formate?
The IUPAC name of 2-aminopropyl formate (CID 54422686) is 2-aminopropyl formate.
What is the SMILES notation for 2-aminopropyl formate?
The canonical SMILES for 2-aminopropyl formate is CC(N)COC=O.
What is the InChIKey of 2-aminopropyl formate?
The InChIKey is CTFYUDGXEUCGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-4(5)2-7-3-6/h3-4H,2,5H2,1H3.
What are the key properties of 2-aminopropyl formate?
2-aminopropyl formate has a molecular weight of 103.12 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropyl formate is sourced from PubChem (CID 54422686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).