2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid

C11H19NO2 — CID 105450840

IUPAC2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid
SMILESCC1(C)CC(N)C2CC(C(=O)O)C2C1
InChIInChI=1S/C11H19NO2/c1-11(2)4-8-6(9(12)5-11)3-7(8)10(13)14/h6-9H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyVYVIIBMHXFSLTG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds1

About 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid

2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid (PubChem CID 105450840) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid
PubChem CID105450840
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid
SMILESCC1(C)CC(N)C2CC(C(=O)O)C2C1
InChIInChI=1S/C11H19NO2/c1-11(2)4-8-6(9(12)5-11)3-7(8)10(13)14/h6-9H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyVYVIIBMHXFSLTG-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222
trans-(1S,3R)-4,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 130964910
4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
CID 118941567
2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020675
2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021336
(2-amino-4,4-dimethylcyclopentyl) acetate
CID 174313858
(3,3,5-trimethylcyclohexyl) 2-aminocyclohexane-1-carboxylate
CID 64815702
(1S,2S,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 67232659
(1R,2R,3R,5S)-2-amino-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 102130555
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 5275652
trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 126970437
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid?
The IUPAC name of 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid (CID 105450840) is 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid.
What is the SMILES notation for 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid?
The canonical SMILES for 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid is CC1(C)CC(N)C2CC(C(=O)O)C2C1.
What is the InChIKey of 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid?
The InChIKey is VYVIIBMHXFSLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)4-8-6(9(12)5-11)3-7(8)10(13)14/h6-9H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid?
2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid is sourced from PubChem (CID 105450840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).