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

C12H20F3NO3 — CID 61491177

IUPAC2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESO=C(O)CN(CCCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-3-6-16(8-11(17)18)10-4-1-2-5-10/h10H,1-9H2,(H,17,18)
InChIKeyAJIOWMXQEJNWES-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.28
Rot. Bonds8

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

2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (PubChem CID 61491177) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
PubChem CID61491177
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESO=C(O)CN(CCCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-3-6-16(8-11(17)18)10-4-1-2-5-10/h10H,1-9H2,(H,17,18)
InChIKeyAJIOWMXQEJNWES-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961978
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961980
2-[Cyclopentyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 54962327
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54983399
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60827286
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
2-[Cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171963
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 62639785
2-[Cyclopentyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901918
2-[Cyclopentyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64567353
2-[Cyclopentyl-[2-(trifluoromethoxy)ethyl]amino]acetic acid
CID 65803706

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (CID 61491177) is 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is O=C(O)CN(CCCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The InChIKey is AJIOWMXQEJNWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-3-6-16(8-11(17)18)10-4-1-2-5-10/h10H,1-9H2,(H,17,18).
What are the key properties of 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is sourced from PubChem (CID 61491177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).