2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid

C6H9F3N2O5 — CID 131726212

IUPAC2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N2O3.C2HF3O2/c5-1-3(7)6-2-4(8)9;3-2(4,5)1(6)7/h1-2,5H2,(H,6,7)(H,8,9);(H,6,7)
InChIKeyJHHKRZMJTCLJBD-UHFFFAOYSA-N
MW246.14 g/mol
LogP-1.22
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid

2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 131726212) has the molecular formula C6H9F3N2O5 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID131726212
Molecular FormulaC6H9F3N2O5
Molecular Weight246.14 g/mol
Exact Mass246.05
IUPAC Name2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NCC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N2O3.C2HF3O2/c5-1-3(7)6-2-4(8)9;3-2(4,5)1(6)7/h1-2,5H2,(H,6,7)(H,8,9);(H,6,7)
InChIKeyJHHKRZMJTCLJBD-UHFFFAOYSA-N
XLogP-1.22
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
2-amino-N-hydroxyacetamide;2,2,2-trifluoroacetic acid
CID 11229472
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
CID 22493014
C7H10F3N2O5S
CID 156588632
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 122705193
(3S)-3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 162410189
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
CID 115519305
methyl 2-[2-[(2-aminoacetyl)amino]propanoylamino]acetate;2,2,2-trifluoroacetic acid
CID 88813030
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid (CID 131726212) is 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid is NCC(=O)NCC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JHHKRZMJTCLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C2HF3O2/c5-1-3(7)6-2-4(8)9;3-2(4,5)1(6)7/h1-2,5H2,(H,6,7)(H,8,9);(H,6,7).
What are the key properties of 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 246.14 g/mol, XLogP of -1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131726212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).