4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide

C11H17F3N2O2 — CID 164641633

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN1CCCC1=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-8(11(12,13)14)15-9(17)4-2-6-16-7-3-5-10(16)18/h8H,2-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyHYBBGIWSHMNNTI-QMMMGPOBSA-N
MW266.26 g/mol
LogP1.46
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide

4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide (PubChem CID 164641633) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
PubChem CID164641633
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN1CCCC1=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-8(11(12,13)14)15-9(17)4-2-6-16-7-3-5-10(16)18/h8H,2-7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyHYBBGIWSHMNNTI-QMMMGPOBSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide (CID 164641633) is 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide is C[C@H](NC(=O)CCCN1CCCC1=O)C(F)(F)F.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide?
The InChIKey is HYBBGIWSHMNNTI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-8(11(12,13)14)15-9(17)4-2-6-16-7-3-5-10(16)18/h8H,2-7H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide?
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide has a molecular weight of 266.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]butanamide is sourced from PubChem (CID 164641633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).