cyclohexylmethyl (2R)-2-aminopentanoate

C12H23NO2 — CID 107565760

IUPACcyclohexylmethyl (2R)-2-aminopentanoate
SMILESCCC[C@@H](N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3/t11-/m1/s1
InChIKeyCGVUUMMXNIILFM-LLVKDONJSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds5

About cyclohexylmethyl (2R)-2-aminopentanoate

cyclohexylmethyl (2R)-2-aminopentanoate (PubChem CID 107565760) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclohexylmethyl (2R)-2-aminopentanoate.

Molecular Properties

Compound Namecyclohexylmethyl (2R)-2-aminopentanoate
PubChem CID107565760
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclohexylmethyl (2R)-2-aminopentanoate
SMILESCCC[C@@H](N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3/t11-/m1/s1
InChIKeyCGVUUMMXNIILFM-LLVKDONJSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cyclopentyl 2-aminopentanoate
CID 61278203
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024
cyclohexylmethyl 2-iodobutanoate
CID 137452878
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
cyclopentylmethyl 2-methylpropanoate
CID 21063892
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2R)-2-aminopentanoate?
The IUPAC name of cyclohexylmethyl (2R)-2-aminopentanoate (CID 107565760) is cyclohexylmethyl (2R)-2-aminopentanoate.
What is the SMILES notation for cyclohexylmethyl (2R)-2-aminopentanoate?
The canonical SMILES for cyclohexylmethyl (2R)-2-aminopentanoate is CCC[C@@H](N)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl (2R)-2-aminopentanoate?
The InChIKey is CGVUUMMXNIILFM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h10-11H,2-9,13H2,1H3/t11-/m1/s1.
What are the key properties of cyclohexylmethyl (2R)-2-aminopentanoate?
cyclohexylmethyl (2R)-2-aminopentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2R)-2-aminopentanoate is sourced from PubChem (CID 107565760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).