cyclohexylmethyl 2-amino-2-methylbutanoate

C12H23NO2 — CID 79799242

IUPACcyclohexylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-12(2,13)11(14)15-9-10-7-5-4-6-8-10/h10H,3-9,13H2,1-2H3
InChIKeyQWKFLQRWVNZVRX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds4

About cyclohexylmethyl 2-amino-2-methylbutanoate

cyclohexylmethyl 2-amino-2-methylbutanoate (PubChem CID 79799242) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-2-methylbutanoate
PubChem CID79799242
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclohexylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-12(2,13)11(14)15-9-10-7-5-4-6-8-10/h10H,3-9,13H2,1-2H3
InChIKeyQWKFLQRWVNZVRX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
cyclohexylmethyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride
CID 162724550
4-(cyclohexylmethoxy)-3,3-dimethyl-4-oxobutanoic acid
CID 54253433
cyclopentylmethyl 2,2,2-trichloroacetate
CID 66868515
cyclohexylmethyl 2-chloro-2,2-difluoroacetate
CID 91692578
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
4-(cyclohexylmethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 59030191
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-2-methylbutanoate?
The IUPAC name of cyclohexylmethyl 2-amino-2-methylbutanoate (CID 79799242) is cyclohexylmethyl 2-amino-2-methylbutanoate.
What is the SMILES notation for cyclohexylmethyl 2-amino-2-methylbutanoate?
The canonical SMILES for cyclohexylmethyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-amino-2-methylbutanoate?
The InChIKey is QWKFLQRWVNZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(2,13)11(14)15-9-10-7-5-4-6-8-10/h10H,3-9,13H2,1-2H3.
What are the key properties of cyclohexylmethyl 2-amino-2-methylbutanoate?
cyclohexylmethyl 2-amino-2-methylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79799242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).