(1-amino-2-methylpropyl) formate

C5H11NO2 — CID 90223964

IUPAC(1-amino-2-methylpropyl) formate
SMILESCC(C)C(N)OC=O
InChIInChI=1S/C5H11NO2/c1-4(2)5(6)8-3-7/h3-5H,6H2,1-2H3
InChIKeyOHIYUHBOEWFWHJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.10
Rot. Bonds3

About (1-amino-2-methylpropyl) formate

(1-amino-2-methylpropyl) formate (PubChem CID 90223964) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (1-amino-2-methylpropyl) formate.

Molecular Properties

Compound Name(1-amino-2-methylpropyl) formate
PubChem CID90223964
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(1-amino-2-methylpropyl) formate
SMILESCC(C)C(N)OC=O
InChIInChI=1S/C5H11NO2/c1-4(2)5(6)8-3-7/h3-5H,6H2,1-2H3
InChIKeyOHIYUHBOEWFWHJ-UHFFFAOYSA-N
XLogP0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.10
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-amino-2-methylpropyl) formate?
The IUPAC name of (1-amino-2-methylpropyl) formate (CID 90223964) is (1-amino-2-methylpropyl) formate.
What is the SMILES notation for (1-amino-2-methylpropyl) formate?
The canonical SMILES for (1-amino-2-methylpropyl) formate is CC(C)C(N)OC=O.
What is the InChIKey of (1-amino-2-methylpropyl) formate?
The InChIKey is OHIYUHBOEWFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2)5(6)8-3-7/h3-5H,6H2,1-2H3.
What are the key properties of (1-amino-2-methylpropyl) formate?
(1-amino-2-methylpropyl) formate has a molecular weight of 117.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropyl) formate is sourced from PubChem (CID 90223964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).