4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide

C11H20F3N3O — CID 54926980

IUPAC4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-5-3-9(7-17)6-16-10(18)2-1-4-15/h9H,1-8,15H2,(H,16,18)
InChIKeyZKENNSRZUQPRPV-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.73
Rot. Bonds6

About 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide

4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 54926980) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID54926980
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
SMILESNCCCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)8-17-5-3-9(7-17)6-16-10(18)2-1-4-15/h9H,1-8,15H2,(H,16,18)
InChIKeyZKENNSRZUQPRPV-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide (CID 54926980) is 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide is NCCCC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is ZKENNSRZUQPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)8-17-5-3-9(7-17)6-16-10(18)2-1-4-15/h9H,1-8,15H2,(H,16,18).
What are the key properties of 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide?
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 267.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 54926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).