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

C16H23NO2 — CID 57202485

IUPAC[(2R)-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-/m1/s1
InChIKeyDKLKMKYDWHYZTD-CYBMUJFWSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds5

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

[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate (PubChem CID 57202485) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
PubChem CID57202485
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[(2R)-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-/m1/s1
InChIKeyDKLKMKYDWHYZTD-CYBMUJFWSA-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

[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(1-cyclohexyl-2-hydroxyethyl) benzoate
CID 85344980
3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924
(2R,3R)-2,3-dibenzoyloxy-4-(cyclohexylamino)-4-oxobutanoic acid
CID 26476592
1-(3-methylpiperidin-1-yl)propan-2-yl benzoate;hydrochloride
CID 138401154
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
[(2S)-1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl] benzoate
CID 92858858
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
1-(2-methyl-1-azaspiro[4.5]decan-1-yl)propan-2-yl benzoate
CID 134098309
1-phenoxypropan-2-yl benzoate
CID 59854364

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate?
The IUPAC name of [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate (CID 57202485) is [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate is C[C@H](CNC1CCCCC1)OC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate?
The InChIKey is DKLKMKYDWHYZTD-CYBMUJFWSA-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-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate?
[(2R)-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 [(2R)-1-(cyclohexylamino)propan-2-yl] benzoate is sourced from PubChem (CID 57202485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).