3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid

C11H19NO2 — CID 139020825

IUPAC3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCC1CC=CCC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-9-12-8-6-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2,(H,13,14)
InChIKeyAQJOGTBLQYAJEV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds6

About 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid

3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid (PubChem CID 139020825) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid
PubChem CID139020825
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCC1CC=CCC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-9-12-8-6-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2,(H,13,14)
InChIKeyAQJOGTBLQYAJEV-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid?
The IUPAC name of 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid (CID 139020825) is 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid.
What is the SMILES notation for 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid?
The canonical SMILES for 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid is O=C(O)CCNCCC1CC=CCC1.
What is the InChIKey of 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid?
The InChIKey is AQJOGTBLQYAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)7-9-12-8-6-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2,(H,13,14).
What are the key properties of 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid?
3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid is sourced from PubChem (CID 139020825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).