(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one

C5H7F3N2O — CID 172645634

IUPAC(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one
SMILESN[C@H]1C[C@H](C(F)(F)F)NC1=O
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2(9)4(11)10-3/h2-3H,1,9H2,(H,10,11)/t2-,3+/m0/s1
InChIKeyIVZJGVIGZGIMTQ-STHAYSLISA-N
MW168.12 g/mol
LogP-0.24
Rot. Bonds

About (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one

(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 172645634) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID172645634
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one
SMILESN[C@H]1C[C@H](C(F)(F)F)NC1=O
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2(9)4(11)10-3/h2-3H,1,9H2,(H,10,11)/t2-,3+/m0/s1
InChIKeyIVZJGVIGZGIMTQ-STHAYSLISA-N
XLogP-0.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(Trifluoromethyl)pyrrolidin-2-one
CID 56647382
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
4,4-Difluoro-L-prolinamide hydrochloride
CID 45158909
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592868
3-(Methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592921
(2S)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 121483140
N-(2-trifluoroacetyl) pyrrolidine-2-carboxamide
CID 19956567
(S)-4,4-difluoropyrrolidine-2-carboxamide
CID 42553070
N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide hydrochloride
CID 42889258
3,3-Difluoro-5-(iodomethyl)pyrrolidin-2-one
CID 132398837
(2R)-4,4-difluoro-N-methylpyrrolidine-2-carboxamide hydrochloride
CID 165690057
2,2,2-Trifluoro-n-(2-oxo-pyrrolidin-3-yl)-acetamide
CID 10535860

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one (CID 172645634) is (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one is N[C@H]1C[C@H](C(F)(F)F)NC1=O.
What is the InChIKey of (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is IVZJGVIGZGIMTQ-STHAYSLISA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)3-1-2(9)4(11)10-3/h2-3H,1,9H2,(H,10,11)/t2-,3+/m0/s1.
What are the key properties of (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one?
(3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 168.12 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 172645634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).