2,2-dimethylpropyl (2R)-2-aminopropanoate

C8H17NO2 — CID 86662579

IUPAC2,2-dimethylpropyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9)7(10)11-5-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
InChIKeySNEZZDIOAQXFRI-ZCFIWIBFSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds2

About 2,2-dimethylpropyl (2R)-2-aminopropanoate

2,2-dimethylpropyl (2R)-2-aminopropanoate (PubChem CID 86662579) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl (2R)-2-aminopropanoate
PubChem CID86662579
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2,2-dimethylpropyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9)7(10)11-5-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
InChIKeySNEZZDIOAQXFRI-ZCFIWIBFSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2R)-2-aminopropanoate?
The IUPAC name of 2,2-dimethylpropyl (2R)-2-aminopropanoate (CID 86662579) is 2,2-dimethylpropyl (2R)-2-aminopropanoate.
What is the SMILES notation for 2,2-dimethylpropyl (2R)-2-aminopropanoate?
The canonical SMILES for 2,2-dimethylpropyl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl (2R)-2-aminopropanoate?
The InChIKey is SNEZZDIOAQXFRI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9)7(10)11-5-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1.
What are the key properties of 2,2-dimethylpropyl (2R)-2-aminopropanoate?
2,2-dimethylpropyl (2R)-2-aminopropanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (2R)-2-aminopropanoate is sourced from PubChem (CID 86662579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).