(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid

C8H13F3N2O4 — CID 118727499

IUPAC(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESN[C@H](C(=O)O)[C@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-5(6(9)10)4-2-1-3-8-4;3-2(4,5)1(6)7/h4-5,8H,1-3,7H2,(H,9,10);(H,6,7)/t4-,5+;/m1./s1
InChIKeyFEIMKNJJGJMGLD-JBUOLDKXSA-N
MW258.20 g/mol
LogP-0.22
Rot. Bonds2

About (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid

(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 118727499) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID118727499
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESN[C@H](C(=O)O)[C@H]1CCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-5(6(9)10)4-2-1-3-8-4;3-2(4,5)1(6)7/h4-5,8H,1-3,7H2,(H,9,10);(H,6,7)/t4-,5+;/m1./s1
InChIKeyFEIMKNJJGJMGLD-JBUOLDKXSA-N
XLogP-0.22
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lysinoalanine hydrochloride
CID 432092
Lysinoalanine
CID 29269
(2R)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 118727497
Lysinoalanine, (S,S)-
CID 6992281
2-((2R)-4,4-difluoropyrrolidin-2-yl)acetic acid hydrochloride
CID 163321539
(2s)-4-Fluoropyrrolidine-2-acetic acid
CID 90889812
2-(4-Fluoropyrrolidin-2-yl)acetic acid
CID 90916505
(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
CID 100914511
2-(4,4-Difluoropyrrolidin-2-yl)acetic acid
CID 118102661
2-(4,4-Difluoropyrrolidin-2-yl)acetic acid hydrochloride
CID 121483212
2-Amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
CID 129102189
(R)-2-(4,4-Difluoropyrrolidin-2-yl)acetic acid
CID 131003253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 118727499) is (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid is N[C@H](C(=O)O)[C@H]1CCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FEIMKNJJGJMGLD-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H12N2O2.C2HF3O2/c7-5(6(9)10)4-2-1-3-8-4;3-2(4,5)1(6)7/h4-5,8H,1-3,7H2,(H,9,10);(H,6,7)/t4-,5+;/m1./s1.
What are the key properties of (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid?
(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 258.20 g/mol, XLogP of -0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118727499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).