1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid

C12H17F3N2O3 — CID 106216344

IUPAC1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c1-10(8(18)19)4-2-3-7(10)16-9(20)17-11(5-6-11)12(13,14)15/h7H,2-6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKCVMFIQLUTWVBK-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.02
Rot. Bonds3

About 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid

1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106216344) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106216344
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c1-10(8(18)19)4-2-3-7(10)16-9(20)17-11(5-6-11)12(13,14)15/h7H,2-6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyKCVMFIQLUTWVBK-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 106216344) is 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KCVMFIQLUTWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-10(8(18)19)4-2-3-7(10)16-9(20)17-11(5-6-11)12(13,14)15/h7H,2-6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106216344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).