2-(1,3-difluoroprop-2-enylamino)acetic acid

C5H7F2NO2 — CID 175555566

IUPAC2-(1,3-difluoroprop-2-enylamino)acetic acid
SMILESO=C(O)CNC(F)C=CF
InChIInChI=1S/C5H7F2NO2/c6-2-1-4(7)8-3-5(9)10/h1-2,4,8H,3H2,(H,9,10)
InChIKeyVZVPYVWZUPFVFO-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.44
Rot. Bonds4

About 2-(1,3-difluoroprop-2-enylamino)acetic acid

2-(1,3-difluoroprop-2-enylamino)acetic acid (PubChem CID 175555566) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2-(1,3-difluoroprop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(1,3-difluoroprop-2-enylamino)acetic acid
PubChem CID175555566
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2-(1,3-difluoroprop-2-enylamino)acetic acid
SMILESO=C(O)CNC(F)C=CF
InChIInChI=1S/C5H7F2NO2/c6-2-1-4(7)8-3-5(9)10/h1-2,4,8H,3H2,(H,9,10)
InChIKeyVZVPYVWZUPFVFO-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.44
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

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
Diallylamine trifluoroacetate
CID 86195184
Trifluoromethylallyl-glycine
CID 129710523
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
2-(3,3-Difluoroprop-2-enylamino)acetic acid
CID 175555565
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[[(E)-but-2-enyl]amino]acetic acid;hydrochloride
CID 19364761
Crotyl glycine
CID 19364762

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoroprop-2-enylamino)acetic acid?
The IUPAC name of 2-(1,3-difluoroprop-2-enylamino)acetic acid (CID 175555566) is 2-(1,3-difluoroprop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(1,3-difluoroprop-2-enylamino)acetic acid?
The canonical SMILES for 2-(1,3-difluoroprop-2-enylamino)acetic acid is O=C(O)CNC(F)C=CF.
What is the InChIKey of 2-(1,3-difluoroprop-2-enylamino)acetic acid?
The InChIKey is VZVPYVWZUPFVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-2-1-4(7)8-3-5(9)10/h1-2,4,8H,3H2,(H,9,10).
What are the key properties of 2-(1,3-difluoroprop-2-enylamino)acetic acid?
2-(1,3-difluoroprop-2-enylamino)acetic acid has a molecular weight of 151.11 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoroprop-2-enylamino)acetic acid is sourced from PubChem (CID 175555566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).