tert-butyl (2R)-2-aminopropanoate

C7H15NO2 — CID 7359212

IUPACtert-butyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m1/s1
InChIKeyTZHVYFBSLOMRCU-RXMQYKEDSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds1

About tert-butyl (2R)-2-aminopropanoate

tert-butyl (2R)-2-aminopropanoate (PubChem CID 7359212) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is tert-butyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-aminopropanoate
PubChem CID7359212
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nametert-butyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m1/s1
InChIKeyTZHVYFBSLOMRCU-RXMQYKEDSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-aminopropanoate?
The IUPAC name of tert-butyl (2R)-2-aminopropanoate (CID 7359212) is tert-butyl (2R)-2-aminopropanoate.
What is the SMILES notation for tert-butyl (2R)-2-aminopropanoate?
The canonical SMILES for tert-butyl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-aminopropanoate?
The InChIKey is TZHVYFBSLOMRCU-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(8)6(9)10-7(2,3)4/h5H,8H2,1-4H3/t5-/m1/s1.
What are the key properties of tert-butyl (2R)-2-aminopropanoate?
tert-butyl (2R)-2-aminopropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-aminopropanoate is sourced from PubChem (CID 7359212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).