cyclohexyl 2-aminopropanoate;ethene

C11H21NO2 — CID 144654176

IUPACcyclohexyl 2-aminopropanoate;ethene
SMILESC=C.CC(N)C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2.C2H4/c1-7(10)9(11)12-8-5-3-2-4-6-8;1-2/h7-8H,2-6,10H2,1H3;1-2H2
InChIKeyNKLAHGIFEIIMCD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds2

About cyclohexyl 2-aminopropanoate;ethene

cyclohexyl 2-aminopropanoate;ethene (PubChem CID 144654176) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclohexyl 2-aminopropanoate;ethene.

Molecular Properties

Compound Namecyclohexyl 2-aminopropanoate;ethene
PubChem CID144654176
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclohexyl 2-aminopropanoate;ethene
SMILESC=C.CC(N)C(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO2.C2H4/c1-7(10)9(11)12-8-5-3-2-4-6-8;1-2/h7-8H,2-6,10H2,1H3;1-2H2
InChIKeyNKLAHGIFEIIMCD-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-aminopropanoate;ethene?
The IUPAC name of cyclohexyl 2-aminopropanoate;ethene (CID 144654176) is cyclohexyl 2-aminopropanoate;ethene.
What is the SMILES notation for cyclohexyl 2-aminopropanoate;ethene?
The canonical SMILES for cyclohexyl 2-aminopropanoate;ethene is C=C.CC(N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-aminopropanoate;ethene?
The InChIKey is NKLAHGIFEIIMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H4/c1-7(10)9(11)12-8-5-3-2-4-6-8;1-2/h7-8H,2-6,10H2,1H3;1-2H2.
What are the key properties of cyclohexyl 2-aminopropanoate;ethene?
cyclohexyl 2-aminopropanoate;ethene has a molecular weight of 199.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-aminopropanoate;ethene is sourced from PubChem (CID 144654176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).