tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate

C14H27NO2 — CID 81386235

IUPACtert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
SMILESC[C@@H](NCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(12-8-6-5-7-9-12)15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyZIQOMRVDQMGXQE-LLVKDONJSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate

tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate (PubChem CID 81386235) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
PubChem CID81386235
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
SMILESC[C@@H](NCC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(12-8-6-5-7-9-12)15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyZIQOMRVDQMGXQE-LLVKDONJSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393192
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
N-tert-butyl-2-(1-cyclobutylethylamino)acetamide
CID 115708515
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate (CID 81386235) is tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate is C[C@@H](NCC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate?
The InChIKey is ZIQOMRVDQMGXQE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(12-8-6-5-7-9-12)15-10-13(16)17-14(2,3)4/h11-12,15H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate?
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate is sourced from PubChem (CID 81386235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).