tert-butyl 6-aminohexanoate

C10H21NO2 — CID 10750089

IUPACtert-butyl 6-aminohexanoate
SMILESCC(C)(C)OC(=O)CCCCCN
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8,11H2,1-3H3
InChIKeyARKHCHKVZVMJRX-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds5

About tert-butyl 6-aminohexanoate

tert-butyl 6-aminohexanoate (PubChem CID 10750089) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl 6-aminohexanoate.

Molecular Properties

Compound Nametert-butyl 6-aminohexanoate
PubChem CID10750089
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl 6-aminohexanoate
SMILESCC(C)(C)OC(=O)CCCCCN
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8,11H2,1-3H3
InChIKeyARKHCHKVZVMJRX-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-aminohexanoate?
The IUPAC name of tert-butyl 6-aminohexanoate (CID 10750089) is tert-butyl 6-aminohexanoate.
What is the SMILES notation for tert-butyl 6-aminohexanoate?
The canonical SMILES for tert-butyl 6-aminohexanoate is CC(C)(C)OC(=O)CCCCCN.
What is the InChIKey of tert-butyl 6-aminohexanoate?
The InChIKey is ARKHCHKVZVMJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8,11H2,1-3H3.
What are the key properties of tert-butyl 6-aminohexanoate?
tert-butyl 6-aminohexanoate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-aminohexanoate is sourced from PubChem (CID 10750089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).