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

C10H16F3NO3 — CID 63901918

IUPAC2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CN(CC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(15)5-14(6-9(16)17)7-3-1-2-4-7/h7-8,15H,1-6H2,(H,16,17)
InChIKeyQTIKFBRWCMGWMZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.24
Rot. Bonds5

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

2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (PubChem CID 63901918) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
PubChem CID63901918
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CN(CC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(15)5-14(6-9(16)17)7-3-1-2-4-7/h7-8,15H,1-6H2,(H,16,17)
InChIKeyQTIKFBRWCMGWMZ-UHFFFAOYSA-N
XLogP1.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Cyclopentyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962327
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 61491177
Methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
CID 63899253
2-[Propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901713
3-[Cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63901855
2-[Butan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63902321
2-[Cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64567353
2-[Cyclopentyl-[2-(trifluoromethoxy)ethyl]amino]acetic acid
CID 65803706
2-[(2-Hydroxycyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257706
2-[Cyclopentyl(2-fluoroethyl)amino]acetic acid
CID 80693666

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (CID 63901918) is 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is O=C(O)CN(CC(O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The InChIKey is QTIKFBRWCMGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(15)5-14(6-9(16)17)7-3-1-2-4-7/h7-8,15H,1-6H2,(H,16,17).
What are the key properties of 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 63901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).