trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid

C6H9F2NO2 — CID 126970437

IUPACtrans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC(F)(F)C[C@@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4-/m0/s1
InChIKeySOBKXLAGVGFGCU-IMJSIDKUSA-N
MW165.14 g/mol
LogP0.44
Rot. Bonds1

About trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid

trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid (PubChem CID 126970437) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
PubChem CID126970437
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Nametrans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
SMILESN[C@H]1CC(F)(F)C[C@@H]1C(=O)O
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4-/m0/s1
InChIKeySOBKXLAGVGFGCU-IMJSIDKUSA-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

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Related Compounds

cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 5275652
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
CID 45262187
2-amino-5,5-difluorocyclohexane-1-carboxylic acid
CID 83854797
2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid
CID 105437824
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222
4,4-difluoro-2-methylcyclopentan-1-amine
CID 168962386
(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decane-7-carboxylic acid
CID 87436012
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 163396148
1-(3,3-difluorocyclobutanecarbonyl)-4-methylpiperidine-3-carboxylic acid
CID 128922387
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid (CID 126970437) is trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid is N[C@H]1CC(F)(F)C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
The InChIKey is SOBKXLAGVGFGCU-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)1-3(5(10)11)4(9)2-6/h3-4H,1-2,9H2,(H,10,11)/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-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 trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 126970437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).