tert-butyl 4-aminobutanoate

C8H17NO2 — CID 7020335

IUPACtert-butyl 4-aminobutanoate
SMILESCC(C)(C)OC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3
InChIKeyXFZZZOMHBHBURH-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds3

About tert-butyl 4-aminobutanoate

tert-butyl 4-aminobutanoate (PubChem CID 7020335) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl 4-aminobutanoate.

Molecular Properties

Compound Nametert-butyl 4-aminobutanoate
PubChem CID7020335
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl 4-aminobutanoate
SMILESCC(C)(C)OC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3
InChIKeyXFZZZOMHBHBURH-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminobutanoate?
The IUPAC name of tert-butyl 4-aminobutanoate (CID 7020335) is tert-butyl 4-aminobutanoate.
What is the SMILES notation for tert-butyl 4-aminobutanoate?
The canonical SMILES for tert-butyl 4-aminobutanoate is CC(C)(C)OC(=O)CCCN.
What is the InChIKey of tert-butyl 4-aminobutanoate?
The InChIKey is XFZZZOMHBHBURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3.
What are the key properties of tert-butyl 4-aminobutanoate?
tert-butyl 4-aminobutanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminobutanoate is sourced from PubChem (CID 7020335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).