2-amino-4-methylidenecyclohexane-1-carboxylic acid

C8H13NO2 — CID 56674076

IUPAC2-amino-4-methylidenecyclohexane-1-carboxylic acid
SMILESC=C1CCC(C(=O)O)C(N)C1
InChIInChI=1S/C8H13NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h6-7H,1-4,9H2,(H,10,11)
InChIKeyZNECJAKZJYNBPL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

About 2-amino-4-methylidenecyclohexane-1-carboxylic acid

2-amino-4-methylidenecyclohexane-1-carboxylic acid (PubChem CID 56674076) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-4-methylidenecyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylidenecyclohexane-1-carboxylic acid
PubChem CID56674076
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-amino-4-methylidenecyclohexane-1-carboxylic acid
SMILESC=C1CCC(C(=O)O)C(N)C1
InChIInChI=1S/C8H13NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h6-7H,1-4,9H2,(H,10,11)
InChIKeyZNECJAKZJYNBPL-UHFFFAOYSA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
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-amino-4-methylidenecyclohexane-1-carboxylic acid?
The IUPAC name of 2-amino-4-methylidenecyclohexane-1-carboxylic acid (CID 56674076) is 2-amino-4-methylidenecyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylidenecyclohexane-1-carboxylic acid?
The canonical SMILES for 2-amino-4-methylidenecyclohexane-1-carboxylic acid is C=C1CCC(C(=O)O)C(N)C1.
What is the InChIKey of 2-amino-4-methylidenecyclohexane-1-carboxylic acid?
The InChIKey is ZNECJAKZJYNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h6-7H,1-4,9H2,(H,10,11).
What are the key properties of 2-amino-4-methylidenecyclohexane-1-carboxylic acid?
2-amino-4-methylidenecyclohexane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylidenecyclohexane-1-carboxylic acid is sourced from PubChem (CID 56674076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).