2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid

C12H17F3N2O3 — CID 106216532

IUPAC2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(5-6-11)17-9(20)16-10(7-8(18)19)3-1-2-4-10/h1-7H2,(H,18,19)(H2,16,17,20)
InChIKeyVLDOOMXVEKTKMS-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.17
Rot. Bonds4

About 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid (PubChem CID 106216532) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid
PubChem CID106216532
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(5-6-11)17-9(20)16-10(7-8(18)19)3-1-2-4-10/h1-7H2,(H,18,19)(H2,16,17,20)
InChIKeyVLDOOMXVEKTKMS-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid (CID 106216532) is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCCC1.
What is the InChIKey of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is VLDOOMXVEKTKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11(5-6-11)17-9(20)16-10(7-8(18)19)3-1-2-4-10/h1-7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid?
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 294.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 106216532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).