2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid

C11H17F3N2O3 — CID 64701682

IUPAC2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-6-15-9(19)16-10(7-8(17)18)3-1-2-4-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyVGZFZGMMAYGTRH-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701682) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701682
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)5-6-15-9(19)16-10(7-8(17)18)3-1-2-4-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyVGZFZGMMAYGTRH-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid (CID 64701682) is 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is VGZFZGMMAYGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)5-6-15-9(19)16-10(7-8(17)18)3-1-2-4-10/h1-7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).