methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate

C14H26N2O3 — CID 95334331

IUPACmethyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)10-7-5-6-8-11(10)15-9-12(17)16-13(18)19-4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyLIADUYNWTKQLJT-GHMZBOCLSA-N
MW270.37 g/mol
LogP2.06
Rot. Bonds3

About methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate

methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate (PubChem CID 95334331) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
PubChem CID95334331
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-14(2,3)10-7-5-6-8-11(10)15-9-12(17)16-13(18)19-4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyLIADUYNWTKQLJT-GHMZBOCLSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate (CID 95334331) is methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate is COC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1C(C)(C)C.
What is the InChIKey of methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate?
The InChIKey is LIADUYNWTKQLJT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)10-7-5-6-8-11(10)15-9-12(17)16-13(18)19-4/h10-11,15H,5-9H2,1-4H3,(H,16,17,18)/t10-,11-/m1/s1.
What are the key properties of methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate?
methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate is sourced from PubChem (CID 95334331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).