ethenol;ethenyl 2-aminoacetate

C6H11NO3 — CID 19851300

IUPACethenol;ethenyl 2-aminoacetate
SMILESC=CO.C=COC(=O)CN
InChIInChI=1S/C4H7NO2.C2H4O/c1-2-7-4(6)3-5;1-2-3/h2H,1,3,5H2;2-3H,1H2
InChIKeyLFMWAQIXXPYHQO-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.32
Rot. Bonds2

About ethenol;ethenyl 2-aminoacetate

ethenol;ethenyl 2-aminoacetate (PubChem CID 19851300) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethenol;ethenyl 2-aminoacetate.

Molecular Properties

Compound Nameethenol;ethenyl 2-aminoacetate
PubChem CID19851300
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethenol;ethenyl 2-aminoacetate
SMILESC=CO.C=COC(=O)CN
InChIInChI=1S/C4H7NO2.C2H4O/c1-2-7-4(6)3-5;1-2-3/h2H,1,3,5H2;2-3H,1H2
InChIKeyLFMWAQIXXPYHQO-UHFFFAOYSA-N
XLogP0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

bis(ethenyl) hexanedioate
CID 19997
(2-ethenoxy-2-oxoethyl) prop-2-enoate
CID 18411317
ethenyl 4-aminobut-3-enoate
CID 173333237
ethenyl 3-oxopropanoate
CID 57245020
ethenyl 2-acetylsulfanylacetate
CID 139751778
ethenyl 3-chloropropanoate
CID 13050129
ethenyl 3-(ethenoxycarbonylamino)propanoate
CID 87997576
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl 2-[carbamoyl(ethenyl)amino]acetate
CID 123883103
ethanol;ethenyl butanoate
CID 87410894
ethenyl 4-(4-ethenoxy-4-oxobut-1-enoxy)but-3-enoate
CID 90822028
11-ethenoxy-11-oxoundecanoic acid
CID 139682785

Frequently Asked Questions

What is the IUPAC name of ethenol;ethenyl 2-aminoacetate?
The IUPAC name of ethenol;ethenyl 2-aminoacetate (CID 19851300) is ethenol;ethenyl 2-aminoacetate.
What is the SMILES notation for ethenol;ethenyl 2-aminoacetate?
The canonical SMILES for ethenol;ethenyl 2-aminoacetate is C=CO.C=COC(=O)CN.
What is the InChIKey of ethenol;ethenyl 2-aminoacetate?
The InChIKey is LFMWAQIXXPYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H4O/c1-2-7-4(6)3-5;1-2-3/h2H,1,3,5H2;2-3H,1H2.
What are the key properties of ethenol;ethenyl 2-aminoacetate?
ethenol;ethenyl 2-aminoacetate has a molecular weight of 145.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;ethenyl 2-aminoacetate is sourced from PubChem (CID 19851300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).