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

C10H15F3N2O3 — CID 106216273

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-2-3-6(7(16)17)14-8(18)15-9(4-5-9)10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFYRIXUPWLPHFPB-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.63
Rot. Bonds5

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

2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid (PubChem CID 106216273) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
PubChem CID106216273
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-2-3-6(7(16)17)14-8(18)15-9(4-5-9)10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFYRIXUPWLPHFPB-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106216545
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]butanoic acid
CID 114159445
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
CID 107564760
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid (CID 106216273) is 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid is CCCC(NC(=O)NC1(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
The InChIKey is FYRIXUPWLPHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-3-6(7(16)17)14-8(18)15-9(4-5-9)10(11,12)13/h6H,2-5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid?
2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 106216273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).