3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid

C11H17F3N2O3 — CID 106216545

IUPAC3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-3-7(6-8(17)18)15-9(19)16-10(4-5-10)11(12,13)14/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYIPQZMWDYMRFPH-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.02
Rot. Bonds6

About 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid

3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid (PubChem CID 106216545) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
PubChem CID106216545
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-3-7(6-8(17)18)15-9(19)16-10(4-5-10)11(12,13)14/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYIPQZMWDYMRFPH-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The IUPAC name of 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid (CID 106216545) is 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid is CCCC(CC(=O)O)NC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
The InChIKey is YIPQZMWDYMRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-3-7(6-8(17)18)15-9(19)16-10(4-5-10)11(12,13)14/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid?
3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid has a molecular weight of 282.26 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 106216545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).