2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid

C11H17F3N2O3 — CID 106216546

IUPAC2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-7(8(17)18)3-2-6-15-9(19)16-10(4-5-10)11(12,13)14/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHNPMNZADLLHFGG-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.88
Rot. Bonds6

About 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid

2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid (PubChem CID 106216546) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
PubChem CID106216546
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-7(8(17)18)3-2-6-15-9(19)16-10(4-5-10)11(12,13)14/h7H,2-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHNPMNZADLLHFGG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid (CID 106216546) is 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid is CC(CCCNC(=O)NC1(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The InChIKey is HNPMNZADLLHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(8(17)18)3-2-6-15-9(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 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 106216546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).