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

C11H15F3N2O3 — CID 62710544

IUPAC2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)C(NC(=O)N(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)5-16(7-3-4-7)10(19)15-8(9(17)18)6-1-2-6/h6-8H,1-5H2,(H,15,19)(H,17,18)
InChIKeyBJGWAUZCFZUWJD-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.59
Rot. Bonds5

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

2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 62710544) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID62710544
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)C(NC(=O)N(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)5-16(7-3-4-7)10(19)15-8(9(17)18)6-1-2-6/h6-8H,1-5H2,(H,15,19)(H,17,18)
InChIKeyBJGWAUZCFZUWJD-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
5-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 82848088
2-[[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223018
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507
(2S)-2-cyclopropyl-2-[(2,2,2-trichloroacetyl)amino]acetic acid
CID 101214790
2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
CID 79377748
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62710183
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 82951883
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 62710544) is 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is O=C(O)C(NC(=O)N(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is BJGWAUZCFZUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)5-16(7-3-4-7)10(19)15-8(9(17)18)6-1-2-6/h6-8H,1-5H2,(H,15,19)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62710544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).