(3,5-dimethylcyclohexyl) 2-(methylamino)acetate

C11H21NO2 — CID 64734569

IUPAC(3,5-dimethylcyclohexyl) 2-(methylamino)acetate
SMILESCNCC(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C11H21NO2/c1-8-4-9(2)6-10(5-8)14-11(13)7-12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyBXUJXPUJKVYYIV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds3

About (3,5-dimethylcyclohexyl) 2-(methylamino)acetate

(3,5-dimethylcyclohexyl) 2-(methylamino)acetate (PubChem CID 64734569) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 2-(methylamino)acetate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 2-(methylamino)acetate
PubChem CID64734569
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3,5-dimethylcyclohexyl) 2-(methylamino)acetate
SMILESCNCC(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C11H21NO2/c1-8-4-9(2)6-10(5-8)14-11(13)7-12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyBXUJXPUJKVYYIV-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate
CID 64729440
(3,5-dimethylcyclohexyl) 3-(ethylamino)propanoate
CID 64732628
[(3R,5S)-3,5-dimethylcyclohexyl] hydrogen carbonate
CID 67795036
4-O-(3,5-dimethylcyclohexyl) 1-O-propyl butanedioate
CID 91702012
(3,5-dimethylcyclohexyl) 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 107018899
bis(3,5-dimethylcyclohexyl) (Z)-but-2-enedioate
CID 154928944
(3,5-dimethylcyclohexyl) 3-(aminomethyl)pentanoate
CID 81073637
(3,5-dimethylcyclohexyl) 4-aminocyclohexane-1-carboxylate
CID 64731838
(3,5,7-trimethylcyclooctyl) (E)-but-2-enoate
CID 156697946
(3,5-dimethylcyclohexyl) 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 107018900
(3,5-dimethylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 64731831
methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 2-(methylamino)acetate?
The IUPAC name of (3,5-dimethylcyclohexyl) 2-(methylamino)acetate (CID 64734569) is (3,5-dimethylcyclohexyl) 2-(methylamino)acetate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 2-(methylamino)acetate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 2-(methylamino)acetate is CNCC(=O)OC1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 2-(methylamino)acetate?
The InChIKey is BXUJXPUJKVYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-4-9(2)6-10(5-8)14-11(13)7-12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl) 2-(methylamino)acetate?
(3,5-dimethylcyclohexyl) 2-(methylamino)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 2-(methylamino)acetate is sourced from PubChem (CID 64734569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).