(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate

C12H23NO2 — CID 115428214

IUPAC(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
SMILESCC1CCCC(OC(=O)C(C)(C)CN)C1
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-10(7-9)15-11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyUZLBMDFEHCVSDU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds3

About (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate

(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate (PubChem CID 115428214) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
PubChem CID115428214
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
SMILESCC1CCCC(OC(=O)C(C)(C)CN)C1
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-10(7-9)15-11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3
InChIKeyUZLBMDFEHCVSDU-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(5-Methyl-2-propan-2-ylcyclohexyl) 3-aminopropanoate
CID 17847019
2-Ethylhexyl beta-alaninate
CID 61302289
2-Ethylhexyl 3-amino-2-methylpropanoate
CID 62671317
(1-Methylcyclohexyl) 3-amino-2-methylpropanoate
CID 68152788
Cyclohexyl 3-amino-2,2-dimethylpropanoate
CID 115428191
2-Ethylhexyl 3-amino-2,2-dimethylpropanoate
CID 115428209
2-(2-Methylcyclohexyl)oxyethyl 3-amino-2-methylpropanoate
CID 118214291
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-aminopropanoate
CID 118882284
[3-(Aminomethyl)cyclohexyl] acetate
CID 142841145
[3-(2-Ethylhexoxy)-3-oxopropyl]azanium
CID 145763129
(3-Methylcyclohexyl) 2-aminoacetate;propane
CID 156718770
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-amino-2-methylpropanoate
CID 11499697

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate?
The IUPAC name of (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate (CID 115428214) is (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate is CC1CCCC(OC(=O)C(C)(C)CN)C1.
What is the InChIKey of (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate?
The InChIKey is UZLBMDFEHCVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-4-6-10(7-9)15-11(14)12(2,3)8-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate?
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 115428214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).