ethenyl 2-[carbamoyl(ethenyl)amino]acetate

C7H10N2O3 — CID 123883103

IUPACethenyl 2-[carbamoyl(ethenyl)amino]acetate
SMILESC=COC(=O)CN(C=C)C(N)=O
InChIInChI=1S/C7H10N2O3/c1-3-9(7(8)11)5-6(10)12-4-2/h3-4H,1-2,5H2,(H2,8,11)
InChIKeyXCGSASLGTRMLOZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.20
Rot. Bonds4

About ethenyl 2-[carbamoyl(ethenyl)amino]acetate

ethenyl 2-[carbamoyl(ethenyl)amino]acetate (PubChem CID 123883103) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethenyl 2-[carbamoyl(ethenyl)amino]acetate.

Molecular Properties

Compound Nameethenyl 2-[carbamoyl(ethenyl)amino]acetate
PubChem CID123883103
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethenyl 2-[carbamoyl(ethenyl)amino]acetate
SMILESC=COC(=O)CN(C=C)C(N)=O
InChIInChI=1S/C7H10N2O3/c1-3-9(7(8)11)5-6(10)12-4-2/h3-4H,1-2,5H2,(H2,8,11)
InChIKeyXCGSASLGTRMLOZ-UHFFFAOYSA-N
XLogP0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-1-(2-hydroxyethyl)urea
CID 57006920
ethenol;ethenyl 2-aminoacetate
CID 19851300
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
sodium;ethenyl carbamate;hydride
CID 174882073
ethenyl 3-chloropropanoate
CID 13050129
ethenyl 3-(ethenoxycarbonylamino)propanoate
CID 87997576
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
N-carbamoyl-N-prop-2-enylformamide
CID 87815239
ethenyl prop-2-enoate;urea
CID 146453811

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-[carbamoyl(ethenyl)amino]acetate?
The IUPAC name of ethenyl 2-[carbamoyl(ethenyl)amino]acetate (CID 123883103) is ethenyl 2-[carbamoyl(ethenyl)amino]acetate.
What is the SMILES notation for ethenyl 2-[carbamoyl(ethenyl)amino]acetate?
The canonical SMILES for ethenyl 2-[carbamoyl(ethenyl)amino]acetate is C=COC(=O)CN(C=C)C(N)=O.
What is the InChIKey of ethenyl 2-[carbamoyl(ethenyl)amino]acetate?
The InChIKey is XCGSASLGTRMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-9(7(8)11)5-6(10)12-4-2/h3-4H,1-2,5H2,(H2,8,11).
What are the key properties of ethenyl 2-[carbamoyl(ethenyl)amino]acetate?
ethenyl 2-[carbamoyl(ethenyl)amino]acetate has a molecular weight of 170.17 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-[carbamoyl(ethenyl)amino]acetate is sourced from PubChem (CID 123883103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).