3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C12H19F3N2O3 — CID 82002685

IUPAC3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-5-17(7-12(13,14)15)11(20)16-9(6-10(18)19)8-3-4-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyZWZIMEANXXSTEU-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds7

About 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 82002685) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID82002685
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-5-17(7-12(13,14)15)11(20)16-9(6-10(18)19)8-3-4-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyZWZIMEANXXSTEU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
CID 82002983
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
3-cyclopropyl-3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]propanoic acid
CID 82002217
2-[1-cyclopropylbutan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266742
3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134
3,3,3-trifluoro-2-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 79788611
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2,2-dicyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 75436415
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
3-cyclopropyl-3-(1-fluorobutoxycarbonylamino)propanoic acid
CID 69372005

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 82002685) is 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZWZIMEANXXSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-5-17(7-12(13,14)15)11(20)16-9(6-10(18)19)8-3-4-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82002685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).