1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid

C6H9F2NO2 — CID 175481331

IUPAC1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
SMILESCC1C(F)(F)CC1(N)C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyDGFLTNVZTCXIPW-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.44
Rot. Bonds1

About 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid

1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid (PubChem CID 175481331) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
PubChem CID175481331
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
SMILESCC1C(F)(F)CC1(N)C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyDGFLTNVZTCXIPW-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-3,3-difluoro-2-methylcyclobutane-1-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

(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 99995862
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
1-(1-amino-2-methylcyclopropyl)ethanone
CID 22091718
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
3-amino-2-methyladamantane-1-carboxylic acid
CID 70565054
2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
CID 59948366
2,2,7,7-tetrafluorotricyclo[4.3.1.13,8]undecane-1,8-dicarboxylic acid
CID 58130207
cis-(1R,2S)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
CID 11062512
cis-(1S,2R)-1-amino-2-(hydroxymethyl)cyclobutane-1-carboxylic acid
CID 11804894
trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883
3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
CID 23439370

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid (CID 175481331) is 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid is CC1C(F)(F)CC1(N)C(=O)O.
What is the InChIKey of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
The InChIKey is DGFLTNVZTCXIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-5(9,4(10)11)2-6(3,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid?
1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 175481331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).