2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

C9H15F3N2O3 — CID 63228095

IUPAC2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-5-14(6-7(15)16)8(17)13-4-3-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyKPNXGEZLTKDCNH-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.45
Rot. Bonds6

About 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (PubChem CID 63228095) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
PubChem CID63228095
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-2-5-14(6-7(15)16)8(17)13-4-3-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyKPNXGEZLTKDCNH-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (CID 63228095) is 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The InChIKey is KPNXGEZLTKDCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-2-5-14(6-7(15)16)8(17)13-4-3-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63228095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).