2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C6H9F3N2O5 — CID 160881248

IUPAC2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESNCC(=O)O.O=C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO3.C2H5NO2/c5-4(6,7)3(11)8-1-2(9)10;3-1-2(4)5/h1H2,(H,8,11)(H,9,10);1,3H2,(H,4,5)
InChIKeySNBCMPWMEKQMPA-UHFFFAOYSA-N
MW246.14 g/mol
LogP-1.22
Rot. Bonds3

About 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid

2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 160881248) has the molecular formula C6H9F3N2O5 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID160881248
Molecular FormulaC6H9F3N2O5
Molecular Weight246.14 g/mol
Exact Mass246.05
IUPAC Name2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESNCC(=O)O.O=C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO3.C2H5NO2/c5-4(6,7)3(11)8-1-2(9)10;3-1-2(4)5/h1H2,(H,8,11)(H,9,10);1,3H2,(H,4,5)
InChIKeySNBCMPWMEKQMPA-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

N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
2-[(2-aminoacetyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 131726212
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
CID 22493014
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 126997827
2-(2,2-diethylbutanoylamino)acetic acid
CID 88907471
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
C7H10F3N2O5S
CID 156588632
bis(2-aminoacetic acid);copper
CID 50912486

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 160881248) is 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid is NCC(=O)O.O=C(O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is SNBCMPWMEKQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO3.C2H5NO2/c5-4(6,7)3(11)8-1-2(9)10;3-1-2(4)5/h1H2,(H,8,11)(H,9,10);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic 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-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 160881248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).