tert-butyl 3-aminopentanoate

C9H19NO2 — CID 115563178

IUPACtert-butyl 3-aminopentanoate
SMILESCCC(N)CC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(10)6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyKLZKLOMEOUQHEO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds3

About tert-butyl 3-aminopentanoate

tert-butyl 3-aminopentanoate (PubChem CID 115563178) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 3-aminopentanoate.

Molecular Properties

Compound Nametert-butyl 3-aminopentanoate
PubChem CID115563178
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 3-aminopentanoate
SMILESCCC(N)CC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(10)6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyKLZKLOMEOUQHEO-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopentanoate?
The IUPAC name of tert-butyl 3-aminopentanoate (CID 115563178) is tert-butyl 3-aminopentanoate.
What is the SMILES notation for tert-butyl 3-aminopentanoate?
The canonical SMILES for tert-butyl 3-aminopentanoate is CCC(N)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-aminopentanoate?
The InChIKey is KLZKLOMEOUQHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(10)6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 3-aminopentanoate?
tert-butyl 3-aminopentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopentanoate is sourced from PubChem (CID 115563178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).