2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride

C9H20FNO3 — CID 174873237

IUPAC2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride
SMILESC.C=CCOCC=C.F.NCC(=O)O
InChIInChI=1S/C6H10O.C2H5NO2.CH4.FH/c1-3-5-7-6-4-2;3-1-2(4)5;;/h3-4H,1-2,5-6H2;1,3H2,(H,4,5);1H4;1H
InChIKeyWABPZQUFRNABOV-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.19
Rot. Bonds5

About 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride

2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride (PubChem CID 174873237) has the molecular formula C9H20FNO3 and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride.

Molecular Properties

Compound Name2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride
PubChem CID174873237
Molecular FormulaC9H20FNO3
Molecular Weight209.26 g/mol
Exact Mass209.14
IUPAC Name2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride
SMILESC.C=CCOCC=C.F.NCC(=O)O
InChIInChI=1S/C6H10O.C2H5NO2.CH4.FH/c1-3-5-7-6-4-2;3-1-2(4)5;;/h3-4H,1-2,5-6H2;1,3H2,(H,4,5);1H4;1H
InChIKeyWABPZQUFRNABOV-UHFFFAOYSA-N
XLogP1.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;buta-1,3-diene
CID 87205631
carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
CID 87667724
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;prop-2-enamide
CID 87241070
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
CID 174655198
2-aminoacetic acid;azane;ethene
CID 174860038
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
CID 87625662
CID 87625662
Potassium allyloxide
CID 87828396
2-aminoacetic acid;cadmium
CID 87269769

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride?
The IUPAC name of 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride (CID 174873237) is 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride.
What is the SMILES notation for 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride?
The canonical SMILES for 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride is C.C=CCOCC=C.F.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride?
The InChIKey is WABPZQUFRNABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H5NO2.CH4.FH/c1-3-5-7-6-4-2;3-1-2(4)5;;/h3-4H,1-2,5-6H2;1,3H2,(H,4,5);1H4;1H.
What are the key properties of 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride?
2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride has a molecular weight of 209.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride is sourced from PubChem (CID 174873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).