cyclohexylmethyl 2-amino-3-methylbutanoate

C12H23NO2 — CID 62383261

IUPACcyclohexylmethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyKKRGARKVSKBTQQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds4

About cyclohexylmethyl 2-amino-3-methylbutanoate

cyclohexylmethyl 2-amino-3-methylbutanoate (PubChem CID 62383261) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-3-methylbutanoate
PubChem CID62383261
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclohexylmethyl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyKKRGARKVSKBTQQ-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
cyclohexylmethyl 2-iodobutanoate
CID 137452878
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
1,3-dithian-2-ylmethyl (2S)-2-amino-3-methylbutanoate
CID 14132523

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-3-methylbutanoate?
The IUPAC name of cyclohexylmethyl 2-amino-3-methylbutanoate (CID 62383261) is cyclohexylmethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for cyclohexylmethyl 2-amino-3-methylbutanoate?
The canonical SMILES for cyclohexylmethyl 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-3-methylbutanoate?
The InChIKey is KKRGARKVSKBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of cyclohexylmethyl 2-amino-3-methylbutanoate?
cyclohexylmethyl 2-amino-3-methylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 62383261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).