2-(2-fluoroethylamino)acetic acid

C4H8FNO2 — CID 19860446

IUPAC2-(2-fluoroethylamino)acetic acid
SMILESO=C(O)CNCCF
InChIInChI=1S/C4H8FNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyXMOFVHLIHKQOLE-UHFFFAOYSA-N
MW121.11 g/mol
LogP-0.37
Rot. Bonds4

About 2-(2-fluoroethylamino)acetic acid

2-(2-fluoroethylamino)acetic acid (PubChem CID 19860446) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(2-fluoroethylamino)acetic acid
PubChem CID19860446
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name2-(2-fluoroethylamino)acetic acid
SMILESO=C(O)CNCCF
InChIInChI=1S/C4H8FNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyXMOFVHLIHKQOLE-UHFFFAOYSA-N
XLogP-0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 8897
Ethylenediaminediacetic acid
CID 61975
N-Ethylglycine
CID 316542
N-(2-Hydroxyethyl)glycine
CID 225935
(Ethylammonio)acetate
CID 6992079
Ammoniodiacetate
CID 3614581
N-(2-Aminoethyl)glycine
CID 428913
2-[Bis(carboxymethyl)azaniumyl]acetate
CID 139057210
NoName_76
CID 414244
Glycine, N-(carboxymethyl)-, hydrochloride (1:1)
CID 520358
2-(Ethylamino)acetic acid hydrochloride
CID 19011402
Monofluoroacetylglycine
CID 95736

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)acetic acid?
The IUPAC name of 2-(2-fluoroethylamino)acetic acid (CID 19860446) is 2-(2-fluoroethylamino)acetic acid.
What is the SMILES notation for 2-(2-fluoroethylamino)acetic acid?
The canonical SMILES for 2-(2-fluoroethylamino)acetic acid is O=C(O)CNCCF.
What is the InChIKey of 2-(2-fluoroethylamino)acetic acid?
The InChIKey is XMOFVHLIHKQOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c5-1-2-6-3-4(7)8/h6H,1-3H2,(H,7,8).
What are the key properties of 2-(2-fluoroethylamino)acetic acid?
2-(2-fluoroethylamino)acetic acid has a molecular weight of 121.11 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)acetic acid is sourced from PubChem (CID 19860446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).