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

C9H12F3NO3 — CID 61000446

IUPAC2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13(5-7(14)15)6-3-1-2-4-6/h6H,1-5H2,(H,14,15)
InChIKeyUKBDZWXCONTKLX-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.40
Rot. Bonds3

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

2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 61000446) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID61000446
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13(5-7(14)15)6-3-1-2-4-6/h6H,1-5H2,(H,14,15)
InChIKeyUKBDZWXCONTKLX-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 59870785
Cyclopentyl-(2-fluoro-2-oxoethyl)carbamic acid
CID 87613911
2-[Cyclopentyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60826431
2-[Butan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60829896
2-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 60832356
2-[Cyclopentyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 60833966
2-[Cyclopentyl(2,2-difluoroethyl)amino]acetic acid
CID 60922809
2-[N-(butan-2-yl)-2,2,2-trifluoroacetamido]acetic acid
CID 61000684
2-[Cyclopentyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171963
2-[Cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827
2-[Cyclopentyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607095
2-[Cyclopentyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607187

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 61000446) is 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)CN(C(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is UKBDZWXCONTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)8(16)13(5-7(14)15)6-3-1-2-4-6/h6H,1-5H2,(H,14,15).
What are the key properties of 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 239.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 61000446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).