tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate

C13H24N2O3 — CID 75423323

IUPACtert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyPROGGNKQEKINHY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.95
Rot. Bonds3

About tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate

tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate (PubChem CID 75423323) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
PubChem CID75423323
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyPROGGNKQEKINHY-UHFFFAOYSA-N
XLogP1.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
tert-butyl N-[(1S)-2-[(3S)-3-carbamoyl-3,4-dihydropyrazol-2-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 70967077
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 166747936
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate (CID 75423323) is tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate is CC(C)(C)OC(=O)NC(C(N)=O)C1CCCCC1.
What is the InChIKey of tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate?
The InChIKey is PROGGNKQEKINHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-10(11(14)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate?
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate is sourced from PubChem (CID 75423323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).