3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid

C10H15F3N2O3 — CID 82002330

IUPAC3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)NCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)3-4-14-9(18)15-7(5-8(16)17)6-1-2-6/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyUOOGADGOWVMHCU-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.49
Rot. Bonds6

About 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid

3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid (PubChem CID 82002330) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
PubChem CID82002330
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)NCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)3-4-14-9(18)15-7(5-8(16)17)6-1-2-6/h6-7H,1-5H2,(H,16,17)(H2,14,15,18)
InChIKeyUOOGADGOWVMHCU-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid (CID 82002330) is 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid is O=C(O)CC(NC(=O)NCCC(F)(F)F)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
The InChIKey is UOOGADGOWVMHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)3-4-14-9(18)15-7(5-8(16)17)6-1-2-6/h6-7H,1-5H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid?
3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 82002330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).