2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate

C10H19NO2 — CID 102466999

IUPAC2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
SMILESC=CC(C)(C)OC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-10(4,5)13-9(12)8(11)7(2)3/h6-8H,1,11H2,2-5H3/t8-/m0/s1
InChIKeyQIVKOSZBEVWUAA-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.48
Rot. Bonds4

About 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate

2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate (PubChem CID 102466999) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
PubChem CID102466999
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate
SMILESC=CC(C)(C)OC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-10(4,5)13-9(12)8(11)7(2)3/h6-8H,1,11H2,2-5H3/t8-/m0/s1
InChIKeyQIVKOSZBEVWUAA-QMMMGPOBSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate?
The IUPAC name of 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate (CID 102466999) is 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate is C=CC(C)(C)OC(=O)[C@@H](N)C(C)C.
What is the InChIKey of 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate?
The InChIKey is QIVKOSZBEVWUAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-10(4,5)13-9(12)8(11)7(2)3/h6-8H,1,11H2,2-5H3/t8-/m0/s1.
What are the key properties of 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate?
2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-en-2-yl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 102466999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).