2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid

C10H16F3NO2 — CID 64567353

IUPAC2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14(7-9(15)16)8-3-1-2-4-8/h8H,1-7H2,(H,15,16)
InChIKeyVYHWNBBVHXDAIR-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds5

About 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid

2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid (PubChem CID 64567353) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
PubChem CID64567353
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESO=C(O)CN(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14(7-9(15)16)8-3-1-2-4-8/h8H,1-7H2,(H,15,16)
InChIKeyVYHWNBBVHXDAIR-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
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
2-[(4,4-Difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 139341843
2-[(4,4-Difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 155049739
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium
CID 172743144
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-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
2-[Butan-2-yl(2,2-difluoroethyl)amino]acetic acid
CID 60923090
n-Cyclopentyl-n-(2,2,2-trifluoroacetyl)glycine
CID 61000446

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid (CID 64567353) is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid is O=C(O)CN(CCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid?
The InChIKey is VYHWNBBVHXDAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)5-6-14(7-9(15)16)8-3-1-2-4-8/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid?
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid has a molecular weight of 239.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid is sourced from PubChem (CID 64567353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).