2-(fluoromethylamino)acetic acid

C3H6FNO2 — CID 87713709

IUPAC2-(fluoromethylamino)acetic acid
SMILESO=C(O)CNCF
InChIInChI=1S/C3H6FNO2/c4-2-5-1-3(6)7/h5H,1-2H2,(H,6,7)
InChIKeyFSOFAYWCHBNXOW-UHFFFAOYSA-N
MW107.08 g/mol
LogP-0.41
Rot. Bonds3

About 2-(fluoromethylamino)acetic acid

2-(fluoromethylamino)acetic acid (PubChem CID 87713709) has the molecular formula C3H6FNO2 and a molecular weight of 107.08 g/mol. Its IUPAC name is 2-(fluoromethylamino)acetic acid.

Molecular Properties

Compound Name2-(fluoromethylamino)acetic acid
PubChem CID87713709
Molecular FormulaC3H6FNO2
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Name2-(fluoromethylamino)acetic acid
SMILESO=C(O)CNCF
InChIInChI=1S/C3H6FNO2/c4-2-5-1-3(6)7/h5H,1-2H2,(H,6,7)
InChIKeyFSOFAYWCHBNXOW-UHFFFAOYSA-N
XLogP-0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Sarcosine
CID 1088
Iminodiacetic acid
CID 8897
(Methylazaniumyl)acetate
CID 7311726
Sarcosinate
CID 9543102
Glycine, N-methyl-, hydrochloride (1:1)
CID 69483
Sarcosinium
CID 16755639
N-(Hydroxymethyl)glycine
CID 85158
FR-900130
CID 91216343
2-[(2,2,2-Trifluoroethyl)amino]acetic acid hydrochloride
CID 50988793
(2,2,2-Trifluoroethylamino)acetic acid
CID 28897662
Difluoroethylglycine
CID 60922029
Sarcosine C-11
CID 73443002

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylamino)acetic acid?
The IUPAC name of 2-(fluoromethylamino)acetic acid (CID 87713709) is 2-(fluoromethylamino)acetic acid.
What is the SMILES notation for 2-(fluoromethylamino)acetic acid?
The canonical SMILES for 2-(fluoromethylamino)acetic acid is O=C(O)CNCF.
What is the InChIKey of 2-(fluoromethylamino)acetic acid?
The InChIKey is FSOFAYWCHBNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO2/c4-2-5-1-3(6)7/h5H,1-2H2,(H,6,7).
What are the key properties of 2-(fluoromethylamino)acetic acid?
2-(fluoromethylamino)acetic acid has a molecular weight of 107.08 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylamino)acetic acid is sourced from PubChem (CID 87713709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).