[(1R,2S)-2-aminocyclohexyl] carbamate

C7H14N2O2 — CID 121410285

IUPAC[(1R,2S)-2-aminocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6+/m0/s1
InChIKeyIQNKSDAFUZKPMM-NTSWFWBYSA-N
MW158.20 g/mol
LogP0.35
Rot. Bonds1

About [(1R,2S)-2-aminocyclohexyl] carbamate

[(1R,2S)-2-aminocyclohexyl] carbamate (PubChem CID 121410285) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclohexyl] carbamate
PubChem CID121410285
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1R,2S)-2-aminocyclohexyl] carbamate
SMILESNC(=O)O[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6+/m0/s1
InChIKeyIQNKSDAFUZKPMM-NTSWFWBYSA-N
XLogP0.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclohexyl] carbamate?
The IUPAC name of [(1R,2S)-2-aminocyclohexyl] carbamate (CID 121410285) is [(1R,2S)-2-aminocyclohexyl] carbamate.
What is the SMILES notation for [(1R,2S)-2-aminocyclohexyl] carbamate?
The canonical SMILES for [(1R,2S)-2-aminocyclohexyl] carbamate is NC(=O)O[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of [(1R,2S)-2-aminocyclohexyl] carbamate?
The InChIKey is IQNKSDAFUZKPMM-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4,8H2,(H2,9,10)/t5-,6+/m0/s1.
What are the key properties of [(1R,2S)-2-aminocyclohexyl] carbamate?
[(1R,2S)-2-aminocyclohexyl] carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-aminocyclohexyl] carbamate is sourced from PubChem (CID 121410285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).