tert-butyl 2-amino-2-cyclohexylbutanoate

C14H27NO2 — CID 173327824

IUPACtert-butyl 2-amino-2-cyclohexylbutanoate
SMILESCCC(N)(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-5-14(15,11-9-7-6-8-10-11)12(16)17-13(2,3)4/h11H,5-10,15H2,1-4H3
InChIKeyZTPGQXRPQYWOGF-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 2-amino-2-cyclohexylbutanoate

tert-butyl 2-amino-2-cyclohexylbutanoate (PubChem CID 173327824) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-amino-2-cyclohexylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-cyclohexylbutanoate
PubChem CID173327824
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-amino-2-cyclohexylbutanoate
SMILESCCC(N)(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-5-14(15,11-9-7-6-8-10-11)12(16)17-13(2,3)4/h11H,5-10,15H2,1-4H3
InChIKeyZTPGQXRPQYWOGF-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-aminocyclohexanoate
CID 4048819
Ethyl 1-aminocyclohexanecarboxylate
CID 222863
Ethyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 11241228
Methyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 22645079
Tert-butyl 2-amino-2-cyclohexylacetate
CID 61016976
Ethyl 2-amino-2-ethyloctanoate
CID 42614433
Ethyl 2-amino-2-methyloctanoate
CID 50987895
Tert-butyl 1-aminocyclohexane-1-carboxylate hydrochloride
CID 132343988
tert-butyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride
CID 137346851
Tert-butyl 2-amino-3-cyclohexylpropanoate hydrochloride
CID 137698665
tert-butyl (2R)-2-amino-3-cyclohexylpropanoate hydrochloride
CID 137964212
(2R)-2-amino-2-cyclohexylpropanoic acid
CID 11240741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-cyclohexylbutanoate?
The IUPAC name of tert-butyl 2-amino-2-cyclohexylbutanoate (CID 173327824) is tert-butyl 2-amino-2-cyclohexylbutanoate.
What is the SMILES notation for tert-butyl 2-amino-2-cyclohexylbutanoate?
The canonical SMILES for tert-butyl 2-amino-2-cyclohexylbutanoate is CCC(N)(C(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl 2-amino-2-cyclohexylbutanoate?
The InChIKey is ZTPGQXRPQYWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-14(15,11-9-7-6-8-10-11)12(16)17-13(2,3)4/h11H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-cyclohexylbutanoate?
tert-butyl 2-amino-2-cyclohexylbutanoate has a molecular weight of 241.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-cyclohexylbutanoate is sourced from PubChem (CID 173327824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).