methyl (2R)-2-amino-4-cyclohexylbutanoate

C11H21NO2 — CID 150785903

IUPACmethyl (2R)-2-amino-4-cyclohexylbutanoate
SMILESCOC(=O)[C@H](N)CCC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1
InChIKeyKCVPRRNRTQVESK-SNVBAGLBSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds4

About methyl (2R)-2-amino-4-cyclohexylbutanoate

methyl (2R)-2-amino-4-cyclohexylbutanoate (PubChem CID 150785903) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (2R)-2-amino-4-cyclohexylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4-cyclohexylbutanoate
PubChem CID150785903
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (2R)-2-amino-4-cyclohexylbutanoate
SMILESCOC(=O)[C@H](N)CCC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1
InChIKeyKCVPRRNRTQVESK-SNVBAGLBSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
methyl 2-amino-4-cyclohexylbutanoate;methyl 2-amino-2-(cyclohexylmethyl)-3-hydroxypropanoate;methyl 2-amino-3-cyclohexylpropanoate
CID 158093651
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114
2-cyclopentylethyl methyl carbonate
CID 66771150
2-amino-4-cyclobutylbutanamide
CID 131227587
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
CID 142227816

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4-cyclohexylbutanoate?
The IUPAC name of methyl (2R)-2-amino-4-cyclohexylbutanoate (CID 150785903) is methyl (2R)-2-amino-4-cyclohexylbutanoate.
What is the SMILES notation for methyl (2R)-2-amino-4-cyclohexylbutanoate?
The canonical SMILES for methyl (2R)-2-amino-4-cyclohexylbutanoate is COC(=O)[C@H](N)CCC1CCCCC1.
What is the InChIKey of methyl (2R)-2-amino-4-cyclohexylbutanoate?
The InChIKey is KCVPRRNRTQVESK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4-cyclohexylbutanoate?
methyl (2R)-2-amino-4-cyclohexylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-4-cyclohexylbutanoate is sourced from PubChem (CID 150785903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).