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

C10H14F3NO4 — CID 61171963

IUPAC2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14(5-8(15)16)7-3-1-2-4-7/h7H,1-6H2,(H,15,16)
InChIKeyQWWVQPUDKMEEGV-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.01
Rot. Bonds4

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

2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 61171963) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID61171963
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)OCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14(5-8(15)16)7-3-1-2-4-7/h7H,1-6H2,(H,15,16)
InChIKeyQWWVQPUDKMEEGV-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
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(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826431
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60827286
2-(N-cyclopentyl-2,2,2-trifluoroacetamido)acetic acid
CID 61000446
2-[Butan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61169032
2-[Propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61169229
2-[Cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61170595
2-[Propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171179
2-[Cyclopentyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 61491177
2,2,2-trifluoroethyl N-cyclopentyl-N-(2-hydroxyethyl)carbamate
CID 65173834
2-[Cyclopentyl-[2-(trifluoromethoxy)ethyl]amino]acetic acid
CID 65803706
2-[[Cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264194

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 61171963) is 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is O=C(O)CN(C(=O)OCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is QWWVQPUDKMEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14(5-8(15)16)7-3-1-2-4-7/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 61171963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).