(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C7H11F3N2O3 — CID 170911342

IUPAC(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC[C@@H]1CNC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-2-4-1-5(8)7-3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)/t4-;/m1./s1
InChIKeyZKIINSFHUFNDGN-PGMHMLKASA-N
MW228.17 g/mol
LogP-0.29
Rot. Bonds1

About (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 170911342) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID170911342
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC[C@@H]1CNC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-2-4-1-5(8)7-3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)/t4-;/m1./s1
InChIKeyZKIINSFHUFNDGN-PGMHMLKASA-N
XLogP-0.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Diazaspiro[3.4]octan-7-one; trifluoroacetic acid
CID 134611665
(3S)-N-(2,2-difluoroethyl)pyrrolidine-3-carboxamide
CID 57606100
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63007055
N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 63226902
(3S)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 67293912
(3R)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67294107
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide hydrochloride
CID 67294114
(3S)-N,N-dimethylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68475059
(3R)-N,N-dimethylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68476174
(3S)-4-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68646817
(3S)-pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68647412
[(3S)-pyrrolidin-3-yl]methanamine;2,2,2-trifluoroacetic acid
CID 68647655

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 170911342) is (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is NC[C@@H]1CNC(=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZKIINSFHUFNDGN-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10N2O.C2HF3O2/c6-2-4-1-5(8)7-3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)/t4-;/m1./s1.
What are the key properties of (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170911342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).