2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

C8H13F3N2O3 — CID 122164295

IUPAC2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-6(9)3-5-1-2-8-4-5;3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);(H,6,7)
InChIKeyTWIGQBPPFJWYLG-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.10
Rot. Bonds2

About 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid

2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 122164295) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID122164295
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-6(9)3-5-1-2-8-4-5;3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);(H,6,7)
InChIKeyTWIGQBPPFJWYLG-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 65978619
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
(3S)-pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68647412
2-Piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 70864620
Pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 77532959
2-[1-(2-Amino-2-oxoethyl)pyrrolidin-3-yl]acetamide;2,2,2-trifluoroacetic acid
CID 160113460
(3R)-pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166721313
N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 170305964
N-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172756874
2-(4,4-Difluoropyrrolidin-3-yl)acetamide;hydrochloride
CID 175377016
3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;2,2,2-trifluoroacetic acid
CID 175798784
3-Azabicyclo[3.1.0]hexane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 175860939

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid (CID 122164295) is 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is NC(=O)CC1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is TWIGQBPPFJWYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c7-6(9)3-5-1-2-8-4-5;3-2(4,5)1(6)7/h5,8H,1-4H2,(H2,7,9);(H,6,7).
What are the key properties of 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid?
2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122164295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).