(3-amino-2-methylpropyl) formate

C5H11NO2 — CID 54333030

IUPAC(3-amino-2-methylpropyl) formate
SMILESCC(CN)COC=O
InChIInChI=1S/C5H11NO2/c1-5(2-6)3-8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyZZKHDLFNIQABDP-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.25
Rot. Bonds4

About (3-amino-2-methylpropyl) formate

(3-amino-2-methylpropyl) formate (PubChem CID 54333030) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3-amino-2-methylpropyl) formate.

Molecular Properties

Compound Name(3-amino-2-methylpropyl) formate
PubChem CID54333030
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3-amino-2-methylpropyl) formate
SMILESCC(CN)COC=O
InChIInChI=1S/C5H11NO2/c1-5(2-6)3-8-4-7/h4-5H,2-3,6H2,1H3
InChIKeyZZKHDLFNIQABDP-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
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 (3-amino-2-methylpropyl) formate?
The IUPAC name of (3-amino-2-methylpropyl) formate (CID 54333030) is (3-amino-2-methylpropyl) formate.
What is the SMILES notation for (3-amino-2-methylpropyl) formate?
The canonical SMILES for (3-amino-2-methylpropyl) formate is CC(CN)COC=O.
What is the InChIKey of (3-amino-2-methylpropyl) formate?
The InChIKey is ZZKHDLFNIQABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(2-6)3-8-4-7/h4-5H,2-3,6H2,1H3.
What are the key properties of (3-amino-2-methylpropyl) formate?
(3-amino-2-methylpropyl) formate has a molecular weight of 117.15 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylpropyl) formate is sourced from PubChem (CID 54333030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).