cycloheptyl 3-amino-2-methylpropanoate

C11H21NO2 — CID 62668819

IUPACcycloheptyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-9(8-12)11(13)14-10-6-4-2-3-5-7-10/h9-10H,2-8,12H2,1H3
InChIKeyLEPTVTMSJIKLDW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About cycloheptyl 3-amino-2-methylpropanoate

cycloheptyl 3-amino-2-methylpropanoate (PubChem CID 62668819) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cycloheptyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Namecycloheptyl 3-amino-2-methylpropanoate
PubChem CID62668819
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecycloheptyl 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-9(8-12)11(13)14-10-6-4-2-3-5-7-10/h9-10H,2-8,12H2,1H3
InChIKeyLEPTVTMSJIKLDW-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cycloheptyl 6-hydroxy-2-methylhexanoate
CID 122575742
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate
CID 141216694
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
cyclopentyl 2-ethoxypropanoate
CID 173270406
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 3-amino-2-methylpropanoate?
The IUPAC name of cycloheptyl 3-amino-2-methylpropanoate (CID 62668819) is cycloheptyl 3-amino-2-methylpropanoate.
What is the SMILES notation for cycloheptyl 3-amino-2-methylpropanoate?
The canonical SMILES for cycloheptyl 3-amino-2-methylpropanoate is CC(CN)C(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 3-amino-2-methylpropanoate?
The InChIKey is LEPTVTMSJIKLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(8-12)11(13)14-10-6-4-2-3-5-7-10/h9-10H,2-8,12H2,1H3.
What are the key properties of cycloheptyl 3-amino-2-methylpropanoate?
cycloheptyl 3-amino-2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 62668819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).