2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid

C12H21NO2 — CID 43803733

IUPAC2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeySKGOVJBQULCVNB-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.14
Rot. Bonds5

About 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid

2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid (PubChem CID 43803733) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid
PubChem CID43803733
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid
SMILESCCN(CC)C(C(=O)O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,14,15)
InChIKeySKGOVJBQULCVNB-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid (CID 43803733) is 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid is CCN(CC)C(C(=O)O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid?
The InChIKey is SKGOVJBQULCVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid?
2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(diethylamino)acetic acid is sourced from PubChem (CID 43803733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).