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

C10H17F3N2O2 — CID 63911529

IUPAC2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-15(6-10(11,12)13)5-9(14,8(16)17)7-3-4-7/h7H,2-6,14H2,1H3,(H,16,17)
InChIKeyPGVCAAPNICAWEC-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.06
Rot. Bonds6

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

2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63911529) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63911529
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-15(6-10(11,12)13)5-9(14,8(16)17)7-3-4-7/h7H,2-6,14H2,1H3,(H,16,17)
InChIKeyPGVCAAPNICAWEC-UHFFFAOYSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63911529) is 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCN(CC(F)(F)F)CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is PGVCAAPNICAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-15(6-10(11,12)13)5-9(14,8(16)17)7-3-4-7/h7H,2-6,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63911529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).