methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate

C11H21NO3 — CID 82674748

IUPACmethyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NCC1CCCCC1
InChIInChI=1S/C11H21NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3/t10-/m1/s1
InChIKeyQGIGFEZCDYXFHN-SNVBAGLBSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate

methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate (PubChem CID 82674748) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate
PubChem CID82674748
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NCC1CCCCC1
InChIInChI=1S/C11H21NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3/t10-/m1/s1
InChIKeyQGIGFEZCDYXFHN-SNVBAGLBSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(cyclohexylformamido)-3-hydroxypropanoate
CID 4243111
(2S)-2-[(2-methylcyclohexyl)amino]propanoic acid
CID 22965492
Methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate
CID 86801081
Methyl 3-hydroxy-2-[[3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 121517490
methyl (2R,3S)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834926
methyl (2R,3R)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834927
methyl (2R,3S)-3-hydroxy-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 129429805
methyl (2R,3R)-3-hydroxy-2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 129429806
D-Serine, N-cyclohexyl-
CID 12003068
Cyclohexyl-serine
CID 12003069
2-(Cyclohexylamino)-3-hydroxypropanoic acid
CID 12003146
2-[(2-Methylcyclohexyl)amino]propanoic acid
CID 18432406

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate (CID 82674748) is methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate is COC(=O)[C@@H](CO)NCC1CCCCC1.
What is the InChIKey of methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate?
The InChIKey is QGIGFEZCDYXFHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-15-11(14)10(8-13)12-7-9-5-3-2-4-6-9/h9-10,12-13H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate?
methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoate is sourced from PubChem (CID 82674748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).