ethenyl 3-(ethenoxycarbonylamino)propanoate

C8H11NO4 — CID 87997576

IUPACethenyl 3-(ethenoxycarbonylamino)propanoate
SMILESC=COC(=O)CCNC(=O)OC=C
InChIInChI=1S/C8H11NO4/c1-3-12-7(10)5-6-9-8(11)13-4-2/h3-4H,1-2,5-6H2,(H,9,11)
InChIKeyHHZCYWBBVROLJW-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.93
Rot. Bonds5

About ethenyl 3-(ethenoxycarbonylamino)propanoate

ethenyl 3-(ethenoxycarbonylamino)propanoate (PubChem CID 87997576) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethenyl 3-(ethenoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethenyl 3-(ethenoxycarbonylamino)propanoate
PubChem CID87997576
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethenyl 3-(ethenoxycarbonylamino)propanoate
SMILESC=COC(=O)CCNC(=O)OC=C
InChIInChI=1S/C8H11NO4/c1-3-12-7(10)5-6-9-8(11)13-4-2/h3-4H,1-2,5-6H2,(H,9,11)
InChIKeyHHZCYWBBVROLJW-UHFFFAOYSA-N
XLogP0.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
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
ethenyl 3-chloropropanoate
CID 13050129
ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate
CID 89121053
ethenyl N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]carbamate
CID 87161549
ethanol;ethenyl butanoate
CID 87410894
ethenol;ethenyl 2-aminoacetate
CID 19851300
ethenyl 6-hydroxyhexanoate
CID 88593109
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
ethenyl (E)-hex-4-enoate
CID 87134137
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-(ethenoxycarbonylamino)propanoate?
The IUPAC name of ethenyl 3-(ethenoxycarbonylamino)propanoate (CID 87997576) is ethenyl 3-(ethenoxycarbonylamino)propanoate.
What is the SMILES notation for ethenyl 3-(ethenoxycarbonylamino)propanoate?
The canonical SMILES for ethenyl 3-(ethenoxycarbonylamino)propanoate is C=COC(=O)CCNC(=O)OC=C.
What is the InChIKey of ethenyl 3-(ethenoxycarbonylamino)propanoate?
The InChIKey is HHZCYWBBVROLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-12-7(10)5-6-9-8(11)13-4-2/h3-4H,1-2,5-6H2,(H,9,11).
What are the key properties of ethenyl 3-(ethenoxycarbonylamino)propanoate?
ethenyl 3-(ethenoxycarbonylamino)propanoate has a molecular weight of 185.18 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-(ethenoxycarbonylamino)propanoate is sourced from PubChem (CID 87997576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).