2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid

C12H19NO2 — CID 103245487

IUPAC2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-2,9-11,13H,3-8H2,(H,14,15)
InChIKeyQDVPPFJXRNPCDN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid

2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid (PubChem CID 103245487) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
PubChem CID103245487
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCC1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-2,9-11,13H,3-8H2,(H,14,15)
InChIKeyQDVPPFJXRNPCDN-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid
CID 19097401
6-(3,3-Dimethylbutylamino)cyclohex-3-ene-1-carboxylic acid
CID 57632431
(1S,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid
CID 58168734
(1R,6R)-6-(methylamino)cyclohex-3-ene-1-carboxylic acid
CID 58168792
6-(Butylamino)cyclohex-3-ene-1-carboxylic acid
CID 68200626
6-(3-Methylbutylamino)cyclohex-3-ene-1-carboxylic acid
CID 68201039
(1S,2R)-2-(ethylamino)cyclohex-3-ene-1-carboxylic acid
CID 69403266
(1R,6R)-6-(ethylamino)cyclohex-3-ene-1-carboxylic acid
CID 69403590
(1R,2S)-2-(ethylamino)cyclohex-3-ene-1-carboxylic acid
CID 69404318
6-(Methylamino)cyclohex-3-ene-1-carboxylic acid
CID 76692429
4-[(Propan-2-ylamino)methyl]cyclopent-2-ene-1-carboxylic acid
CID 90059273
Ethane;6-(propylamino)cyclohex-3-ene-1-carboxylic acid
CID 143432431

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid (CID 103245487) is 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is QDVPPFJXRNPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-2,9-11,13H,3-8H2,(H,14,15).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid?
2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103245487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).