2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid

C9H15F2NO2 — CID 60922809

IUPAC2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)F)C1CCCC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12(6-9(13)14)7-3-1-2-4-7/h7-8H,1-6H2,(H,13,14)
InChIKeyIHMNNJQDGBPFPX-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.58
Rot. Bonds5

About 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid

2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid (PubChem CID 60922809) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid
PubChem CID60922809
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)F)C1CCCC1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12(6-9(13)14)7-3-1-2-4-7/h7-8H,1-6H2,(H,13,14)
InChIKeyIHMNNJQDGBPFPX-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Cyclopentyl(methyl)amino]acetic acid
CID 28064656
2-[Cyclopentyl(methyl)amino]acetic acid hydrochloride
CID 137318121
cis-(1R,2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 158852289
4:2 Fluorotelomer betaine
CID 3073035
2-[Cyclopentyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962327
2-[Cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826431
2-[Butan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833101
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Butan-2-yl(2,2-difluoroethyl)amino]acetic acid
CID 60923090
2-(N-cyclopentyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000446
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 61491177
2-[Cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901918

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid (CID 60922809) is 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid?
The InChIKey is IHMNNJQDGBPFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)5-12(6-9(13)14)7-3-1-2-4-7/h7-8H,1-6H2,(H,13,14).
What are the key properties of 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid?
2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid has a molecular weight of 207.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,2-difluoroethyl)amino]acetic acid is sourced from PubChem (CID 60922809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).