3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid

C9H13F3N2O4 — CID 175798784

IUPAC3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC[C@H]1CCNC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O2.C2HF3O2/c8-6(10)2-1-5-3-4-9-7(5)11;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,10)(H,9,11);(H,6,7)/t5-;/m0./s1
InChIKeyYXDUXEKYHMQDKC-JEDNCBNOSA-N
MW270.21 g/mol
LogP0.02
Rot. Bonds3

About 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid

3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 175798784) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID175798784
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC[C@H]1CCNC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12N2O2.C2HF3O2/c8-6(10)2-1-5-3-4-9-7(5)11;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,10)(H,9,11);(H,6,7)/t5-;/m0./s1
InChIKeyYXDUXEKYHMQDKC-JEDNCBNOSA-N
XLogP0.02
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid (CID 175798784) is 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid is NC(=O)CC[C@H]1CCNC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is YXDUXEKYHMQDKC-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N2O2.C2HF3O2/c8-6(10)2-1-5-3-4-9-7(5)11;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,10)(H,9,11);(H,6,7)/t5-;/m0./s1.
What are the key properties of 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid?
3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175798784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).