[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate

C16H23NO2 — CID 6604266

IUPAC[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate
SMILESC[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3/t13-/m0/s1
InChIKeyDKLKMKYDWHYZTD-ZDUSSCGKSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds5

About [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate

[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate (PubChem CID 6604266) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate
PubChem CID6604266
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate
SMILESC[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3/t13-/m0/s1
InChIKeyDKLKMKYDWHYZTD-ZDUSSCGKSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Meprylcaine
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1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
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Amyleine hydrochloride
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Piperocaine Hydrochloride
CID 10781
Piperocaine
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2-benzamidoethyl Benzoate
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[(1r,5s)-8-Azabicyclo[3.2.1]octan-3-Yl] Benzoate
CID 11458897

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate?
The IUPAC name of [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate (CID 6604266) is [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate?
The canonical SMILES for [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate is C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate?
The InChIKey is DKLKMKYDWHYZTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate?
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)propan-2-yl] benzoate is sourced from PubChem (CID 6604266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).