(2-amino-2-methylpropyl) but-2-enoate

C8H15NO2 — CID 141082592

IUPAC(2-amino-2-methylpropyl) but-2-enoate
SMILESCC=CC(=O)OCC(C)(C)N
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)11-6-8(2,3)9/h4-5H,6,9H2,1-3H3
InChIKeyHFYOFHGXBHEAFV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About (2-amino-2-methylpropyl) but-2-enoate

(2-amino-2-methylpropyl) but-2-enoate (PubChem CID 141082592) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2-amino-2-methylpropyl) but-2-enoate.

Molecular Properties

Compound Name(2-amino-2-methylpropyl) but-2-enoate
PubChem CID141082592
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2-amino-2-methylpropyl) but-2-enoate
SMILESCC=CC(=O)OCC(C)(C)N
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)11-6-8(2,3)9/h4-5H,6,9H2,1-3H3
InChIKeyHFYOFHGXBHEAFV-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropyl) but-2-enoate?
The IUPAC name of (2-amino-2-methylpropyl) but-2-enoate (CID 141082592) is (2-amino-2-methylpropyl) but-2-enoate.
What is the SMILES notation for (2-amino-2-methylpropyl) but-2-enoate?
The canonical SMILES for (2-amino-2-methylpropyl) but-2-enoate is CC=CC(=O)OCC(C)(C)N.
What is the InChIKey of (2-amino-2-methylpropyl) but-2-enoate?
The InChIKey is HFYOFHGXBHEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(10)11-6-8(2,3)9/h4-5H,6,9H2,1-3H3.
What are the key properties of (2-amino-2-methylpropyl) but-2-enoate?
(2-amino-2-methylpropyl) but-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropyl) but-2-enoate is sourced from PubChem (CID 141082592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).