3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid

C9H15NO5 — CID 155175290

IUPAC3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
SMILESC=CCNC(=O)OCCOCCC(=O)O
InChIInChI=1S/C9H15NO5/c1-2-4-10-9(13)15-7-6-14-5-3-8(11)12/h2H,1,3-7H2,(H,10,13)(H,11,12)
InChIKeyTZXRZCHYADESIE-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.39
Rot. Bonds8

About 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid

3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid (PubChem CID 155175290) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
PubChem CID155175290
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid
SMILESC=CCNC(=O)OCCOCCC(=O)O
InChIInChI=1S/C9H15NO5/c1-2-4-10-9(13)15-7-6-14-5-3-8(11)12/h2H,1,3-7H2,(H,10,13)(H,11,12)
InChIKeyTZXRZCHYADESIE-UHFFFAOYSA-N
XLogP0.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
heptyl N-prop-2-enylcarbamate
CID 123482137
3-pent-4-enoxypropanoic acid
CID 10034873
3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
CID 20793408
2-(2-aminoethoxy)-N-prop-2-enylacetamide
CID 62343413
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
CID 122463166
(2R)-2-amino-3-[2-(prop-2-enylcarbamoyloxy)ethylsulfanyl]propanoic acid
CID 121421833

Frequently Asked Questions

What is the IUPAC name of 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid (CID 155175290) is 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid is C=CCNC(=O)OCCOCCC(=O)O.
What is the InChIKey of 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid?
The InChIKey is TZXRZCHYADESIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-2-4-10-9(13)15-7-6-14-5-3-8(11)12/h2H,1,3-7H2,(H,10,13)(H,11,12).
What are the key properties of 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid?
3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(prop-2-enylcarbamoyloxy)ethoxy]propanoic acid is sourced from PubChem (CID 155175290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).