2-[(2-fluoroacetyl)-methylamino]acetic acid

C5H8FNO3 — CID 170381924

IUPAC2-[(2-fluoroacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CF
InChIInChI=1S/C5H8FNO3/c1-7(3-5(9)10)4(8)2-6/h2-3H2,1H3,(H,9,10)
InChIKeyKBWZOHDYEBEIOV-UHFFFAOYSA-N
MW149.12 g/mol
LogP-0.50
Rot. Bonds3

About 2-[(2-fluoroacetyl)-methylamino]acetic acid

2-[(2-fluoroacetyl)-methylamino]acetic acid (PubChem CID 170381924) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is 2-[(2-fluoroacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoroacetyl)-methylamino]acetic acid
PubChem CID170381924
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name2-[(2-fluoroacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CF
InChIInChI=1S/C5H8FNO3/c1-7(3-5(9)10)4(8)2-6/h2-3H2,1H3,(H,9,10)
InChIKeyKBWZOHDYEBEIOV-UHFFFAOYSA-N
XLogP-0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
Glycine, N-(carboxycarbonyl)-N-methyl-
CID 14985601
2-(2,2,2-Trifluoro-N-Methylacetamido)Acetic Acid
CID 261948
N-acetyliminodiacetic acid
CID 10130190
2-[N-(propan-2-yl)acetamido]acetic acid
CID 13930744
Diacetylglycine
CID 14926475
2-[Methyl(propionyl)amino]acetic acid
CID 15574472
n-Acetyl-n-(prop-2-yn-1-yl)glycine
CID 18668502
N-acetyl-N-chloroglycine
CID 21446181
Carboxymethyl-formyl-dimethylazanium
CID 22397340
Carboxy-(carboxymethyl)-dimethylazanium
CID 54381098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoroacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-fluoroacetyl)-methylamino]acetic acid (CID 170381924) is 2-[(2-fluoroacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoroacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoroacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)CF.
What is the InChIKey of 2-[(2-fluoroacetyl)-methylamino]acetic acid?
The InChIKey is KBWZOHDYEBEIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO3/c1-7(3-5(9)10)4(8)2-6/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(2-fluoroacetyl)-methylamino]acetic acid?
2-[(2-fluoroacetyl)-methylamino]acetic acid has a molecular weight of 149.12 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroacetyl)-methylamino]acetic acid is sourced from PubChem (CID 170381924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).