[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid

C14H20N2O2 — CID 91447786

IUPAC[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
SMILESN[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,17,18)/t12-,13-/m0/s1
InChIKeyTZMCJGAVUOZIAJ-STQMWFEESA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds3

About [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid

[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid (PubChem CID 91447786) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid.

Molecular Properties

Compound Name[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
PubChem CID91447786
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
SMILESN[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,17,18)/t12-,13-/m0/s1
InChIKeyTZMCJGAVUOZIAJ-STQMWFEESA-N
XLogP2.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid
CID 86616309
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
CID 70031264
2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
2-[(2-aminocyclopentyl)-benzylamino]ethanol
CID 62114262
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
CID 118558614
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
benzyl(piperidin-4-yl)carbamic acid
CID 54298382

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid?
The IUPAC name of [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid (CID 91447786) is [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid.
What is the SMILES notation for [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid?
The canonical SMILES for [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid is N[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C(=O)O.
What is the InChIKey of [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid?
The InChIKey is TZMCJGAVUOZIAJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,15H2,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid?
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid has a molecular weight of 248.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid is sourced from PubChem (CID 91447786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).