1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride

C6H9ClF3NO3 — CID 135397437

IUPAC1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3.ClH/c7-6(8,9)5(13)1-4(10,2-5)3(11)12;/h13H,1-2,10H2,(H,11,12);1H
InChIKeyUNBDEHJTWYINQJ-UHFFFAOYSA-N
MW235.59 g/mol
LogP0.28
Rot. Bonds1

About 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride

1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 135397437) has the molecular formula C6H9ClF3NO3 and a molecular weight of 235.59 g/mol. Its IUPAC name is 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID135397437
Molecular FormulaC6H9ClF3NO3
Molecular Weight235.59 g/mol
Exact Mass235.02
IUPAC Name1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO3.ClH/c7-6(8,9)5(13)1-4(10,2-5)3(11)12;/h13H,1-2,10H2,(H,11,12);1H
InChIKeyUNBDEHJTWYINQJ-UHFFFAOYSA-N
XLogP0.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(chloromethyl)-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 73424917
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
4-aminopiperidine-4-carboxylic acid;dihydrochloride
CID 22907088
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 22561606
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
silver 3-amino-1-carboxy-3-(trifluoromethyl)cyclobutane-1-carboxylate
CID 166063775
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 105439814
2,2-difluoro-1-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 58388253
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
1-aminocyclopentane-1-carboxylic acid
CID 2901
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000
(1S,3R,4R)-1-amino-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
CID 168753065

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride (CID 135397437) is 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is UNBDEHJTWYINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3.ClH/c7-6(8,9)5(13)1-4(10,2-5)3(11)12;/h13H,1-2,10H2,(H,11,12);1H.
What are the key properties of 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride?
1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 235.59 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 135397437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).