tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate

C14H27NO2 — CID 167731611

IUPACtert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
SMILESCC1(C)CCC(C(N)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)17-12(16)11(15)10-6-8-14(4,5)9-7-10/h10-11H,6-9,15H2,1-5H3
InChIKeyQJMPLHRXNNSHRW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds2

About tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate

tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate (PubChem CID 167731611) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
PubChem CID167731611
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
SMILESCC1(C)CCC(C(N)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)17-12(16)11(15)10-6-8-14(4,5)9-7-10/h10-11H,6-9,15H2,1-5H3
InChIKeyQJMPLHRXNNSHRW-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-amino-3-(4,4-dimethylcyclohexyl)propanoate
CID 126559741
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
tert-butyl 2-(4,4-dimethylcyclohexyl)pentanoate
CID 135178601
2-[[4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]methyl]-1-methylcyclobutane-1-carboxylic acid
CID 69460776
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
CID 57198840
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 114621457
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
tert-butyl 2-(1-hydroxy-4,4-dimethylcycloheptyl)propanoate
CID 66339645
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate (CID 167731611) is tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate is CC1(C)CCC(C(N)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate?
The InChIKey is QJMPLHRXNNSHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)17-12(16)11(15)10-6-8-14(4,5)9-7-10/h10-11H,6-9,15H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate?
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 2 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-(4,4-dimethylcyclohexyl)acetate is sourced from PubChem (CID 167731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).