tert-butyl (2S)-2-amino-3,3-dimethylbutanoate

C10H21NO2 — CID 11252445

IUPACtert-butyl (2S)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7(11)8(12)13-10(4,5)6/h7H,11H2,1-6H3/t7-/m1/s1
InChIKeyIGZORTGLYQDNMF-SSDOTTSWSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds1

About tert-butyl (2S)-2-amino-3,3-dimethylbutanoate

tert-butyl (2S)-2-amino-3,3-dimethylbutanoate (PubChem CID 11252445) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3,3-dimethylbutanoate
PubChem CID11252445
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl (2S)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7(11)8(12)13-10(4,5)6/h7H,11H2,1-6H3/t7-/m1/s1
InChIKeyIGZORTGLYQDNMF-SSDOTTSWSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate (CID 11252445) is tert-butyl (2S)-2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3,3-dimethylbutanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3,3-dimethylbutanoate is CC(C)(C)OC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate?
The InChIKey is IGZORTGLYQDNMF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)7(11)8(12)13-10(4,5)6/h7H,11H2,1-6H3/t7-/m1/s1.
What are the key properties of tert-butyl (2S)-2-amino-3,3-dimethylbutanoate?
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 11252445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).