(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide

C9H13F3N2O2 — CID 11299382

IUPAC(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@@H](C(F)(F)F)CC1=O
InChIInChI=1S/C9H13F3N2O2/c1-2-6(8(13)16)14-4-5(3-7(14)15)9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,16)/t5-,6-/m0/s1
InChIKeyYIXBPAQLYOOJEI-WDSKDSINSA-N
MW238.21 g/mol
LogP0.66
Rot. Bonds3

About (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide

(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide (PubChem CID 11299382) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
PubChem CID11299382
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1C[C@@H](C(F)(F)F)CC1=O
InChIInChI=1S/C9H13F3N2O2/c1-2-6(8(13)16)14-4-5(3-7(14)15)9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,16)/t5-,6-/m0/s1
InChIKeyYIXBPAQLYOOJEI-WDSKDSINSA-N
XLogP0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide (CID 11299382) is (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1C[C@@H](C(F)(F)F)CC1=O.
What is the InChIKey of (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is YIXBPAQLYOOJEI-WDSKDSINSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-2-6(8(13)16)14-4-5(3-7(14)15)9(10,11)12/h5-6H,2-4H2,1H3,(H2,13,16)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 238.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 11299382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).