2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C12H20F3N3O — CID 79797572

IUPAC2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCN(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C12H20F3N3O/c1-11(16,12(13,14)15)10(19)17-6-8-4-5-18(7-8)9-2-3-9/h8-9H,2-7,16H2,1H3,(H,17,19)
InChIKeyNPIDBXPMHOEGDG-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797572) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797572
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCN(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C12H20F3N3O/c1-11(16,12(13,14)15)10(19)17-6-8-4-5-18(7-8)9-2-3-9/h8-9H,2-7,16H2,1H3,(H,17,19)
InChIKeyNPIDBXPMHOEGDG-UHFFFAOYSA-N
XLogP0.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79797572) is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCC1CCN(C2CC2)C1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is NPIDBXPMHOEGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-11(16,12(13,14)15)10(19)17-6-8-4-5-18(7-8)9-2-3-9/h8-9H,2-7,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 279.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).