5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid

C12H19F3N2O3 — CID 82848088

IUPAC5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O3/c1-8(3-2-4-10(18)19)16-11(20)17(9-5-6-9)7-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyQEAAIAWGEDOTJN-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.37
Rot. Bonds7

About 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid

5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848088) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
PubChem CID82848088
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H19F3N2O3/c1-8(3-2-4-10(18)19)16-11(20)17(9-5-6-9)7-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyQEAAIAWGEDOTJN-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 62710544
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
2-[[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223018
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid
CID 82848938
3-[cyclopropyl(1-ethylsulfanylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 113499255
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (CID 82848088) is 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is QEAAIAWGEDOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8(3-2-4-10(18)19)16-11(20)17(9-5-6-9)7-12(13,14)15/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).