tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate

C15H28N2O3 — CID 99581442

IUPACtert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
SMILESCC(C)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(18)16-11-7-6-8-12(9-11)17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyPWYTVDKMYSSHJO-RYUDHWBXSA-N
MW284.40 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate

tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate (PubChem CID 99581442) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
PubChem CID99581442
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
SMILESCC(C)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(18)16-11-7-6-8-12(9-11)17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1
InChIKeyPWYTVDKMYSSHJO-RYUDHWBXSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate (CID 99581442) is tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate is CC(C)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate?
The InChIKey is PWYTVDKMYSSHJO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(18)16-11-7-6-8-12(9-11)17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,18)(H,17,19)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate?
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate is sourced from PubChem (CID 99581442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).