cyclohexyl 2-(aminomethyl)butanoate

C11H21NO2 — CID 65220233

IUPACcyclohexyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9(8-12)11(13)14-10-6-4-3-5-7-10/h9-10H,2-8,12H2,1H3
InChIKeyMTIXUMFXWRCZIT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds4

About cyclohexyl 2-(aminomethyl)butanoate

cyclohexyl 2-(aminomethyl)butanoate (PubChem CID 65220233) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclohexyl 2-(aminomethyl)butanoate.

Molecular Properties

Compound Namecyclohexyl 2-(aminomethyl)butanoate
PubChem CID65220233
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclohexyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9(8-12)11(13)14-10-6-4-3-5-7-10/h9-10H,2-8,12H2,1H3
InChIKeyMTIXUMFXWRCZIT-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
CID 58332881
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
3-(aminomethyl)-1-cyclohexylpentan-2-one
CID 116575171
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
4-O-cyclohexyl 1-O-(diethylamino) 2-ethylbutanedioate
CID 174671057
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(aminomethyl)butanoate?
The IUPAC name of cyclohexyl 2-(aminomethyl)butanoate (CID 65220233) is cyclohexyl 2-(aminomethyl)butanoate.
What is the SMILES notation for cyclohexyl 2-(aminomethyl)butanoate?
The canonical SMILES for cyclohexyl 2-(aminomethyl)butanoate is CCC(CN)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(aminomethyl)butanoate?
The InChIKey is MTIXUMFXWRCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-9(8-12)11(13)14-10-6-4-3-5-7-10/h9-10H,2-8,12H2,1H3.
What are the key properties of cyclohexyl 2-(aminomethyl)butanoate?
cyclohexyl 2-(aminomethyl)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(aminomethyl)butanoate is sourced from PubChem (CID 65220233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).