methyl 2-(cyclohex-2-en-1-ylamino)acetate

C9H15NO2 — CID 11126688

IUPACmethyl 2-(cyclohex-2-en-1-ylamino)acetate
SMILESCOC(=O)CNC1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyGUVZSSIXCWZFNA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About methyl 2-(cyclohex-2-en-1-ylamino)acetate

methyl 2-(cyclohex-2-en-1-ylamino)acetate (PubChem CID 11126688) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-(cyclohex-2-en-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclohex-2-en-1-ylamino)acetate
PubChem CID11126688
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-(cyclohex-2-en-1-ylamino)acetate
SMILESCOC(=O)CNC1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyGUVZSSIXCWZFNA-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
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 methyl 2-(cyclohex-2-en-1-ylamino)acetate?
The IUPAC name of methyl 2-(cyclohex-2-en-1-ylamino)acetate (CID 11126688) is methyl 2-(cyclohex-2-en-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(cyclohex-2-en-1-ylamino)acetate?
The canonical SMILES for methyl 2-(cyclohex-2-en-1-ylamino)acetate is COC(=O)CNC1C=CCCC1.
What is the InChIKey of methyl 2-(cyclohex-2-en-1-ylamino)acetate?
The InChIKey is GUVZSSIXCWZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of methyl 2-(cyclohex-2-en-1-ylamino)acetate?
methyl 2-(cyclohex-2-en-1-ylamino)acetate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohex-2-en-1-ylamino)acetate is sourced from PubChem (CID 11126688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).