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

C7H11F3N2O5 — CID 86671345

IUPACmethyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CNC(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O3.C2HF3O2/c1-10-5(9)3-7-4(8)2-6;3-2(4,5)1(6)7/h2-3,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyUYGDPGICKQBSDR-UHFFFAOYSA-N
MW260.17 g/mol
LogP-1.13
Rot. Bonds3

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

methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid (PubChem CID 86671345) has the molecular formula C7H11F3N2O5 and a molecular weight of 260.17 g/mol. Its IUPAC name is methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid
PubChem CID86671345
Molecular FormulaC7H11F3N2O5
Molecular Weight260.17 g/mol
Exact Mass260.06
IUPAC Namemethyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)CNC(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O3.C2HF3O2/c1-10-5(9)3-7-4(8)2-6;3-2(4,5)1(6)7/h2-3,6H2,1H3,(H,7,8);(H,6,7)
InChIKeyUYGDPGICKQBSDR-UHFFFAOYSA-N
XLogP-1.13
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid (CID 86671345) is methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid is COC(=O)CNC(=O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid?
The InChIKey is UYGDPGICKQBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C2HF3O2/c1-10-5(9)3-7-4(8)2-6;3-2(4,5)1(6)7/h2-3,6H2,1H3,(H,7,8);(H,6,7).
What are the key properties of methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid?
methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid has a molecular weight of 260.17 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminoacetyl)amino]acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86671345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).