tert-butyl (2S)-2-aminobutanoate

C8H17NO2 — CID 7019938

IUPACtert-butyl (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1
InChIKeyUZHNWSLHLJLEAZ-LURJTMIESA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl (2S)-2-aminobutanoate

tert-butyl (2S)-2-aminobutanoate (PubChem CID 7019938) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl (2S)-2-aminobutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-aminobutanoate
PubChem CID7019938
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl (2S)-2-aminobutanoate
SMILESCC[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1
InChIKeyUZHNWSLHLJLEAZ-LURJTMIESA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-aminobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-aminobutanoate?
The IUPAC name of tert-butyl (2S)-2-aminobutanoate (CID 7019938) is tert-butyl (2S)-2-aminobutanoate.
What is the SMILES notation for tert-butyl (2S)-2-aminobutanoate?
The canonical SMILES for tert-butyl (2S)-2-aminobutanoate is CC[C@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-aminobutanoate?
The InChIKey is UZHNWSLHLJLEAZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m0/s1.
What are the key properties of tert-butyl (2S)-2-aminobutanoate?
tert-butyl (2S)-2-aminobutanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-aminobutanoate is sourced from PubChem (CID 7019938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).