5-(ethoxycarbonylamino)pentyl prop-2-enoate

C11H19NO4 — CID 118485730

IUPAC5-(ethoxycarbonylamino)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNC(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-10(13)16-9-7-5-6-8-12-11(14)15-4-2/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeySWPHVYDIYUNXIJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds8

About 5-(ethoxycarbonylamino)pentyl prop-2-enoate

5-(ethoxycarbonylamino)pentyl prop-2-enoate (PubChem CID 118485730) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(ethoxycarbonylamino)pentyl prop-2-enoate.

Molecular Properties

Compound Name5-(ethoxycarbonylamino)pentyl prop-2-enoate
PubChem CID118485730
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-(ethoxycarbonylamino)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCNC(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-10(13)16-9-7-5-6-8-12-11(14)15-4-2/h3H,1,4-9H2,2H3,(H,12,14)
InChIKeySWPHVYDIYUNXIJ-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-[6-[3-[6-(ethoxycarbonylamino)hexyl]-2,4,6-trioxo-5-[6-(2-prop-2-enoyloxyethoxycarbonylamino)hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl prop-2-enoate
CID 20801395
9-(iodooxycarbonylamino)nonyl prop-2-enoate
CID 154989530
4-(iodooxycarbonylamino)butyl prop-2-enoate
CID 154989529
5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
5-[4-[[4-[5-[5-ethoxycarbonyloxy-3-ethyl-3-[4-(5-prop-2-enoyloxypentoxycarbonylamino)butylcarbamoyloxymethyl]pentoxy]carbonyloxy-3-ethyl-3-[4-(5-prop-2-enoyloxypentoxycarbonylamino)butylcarbamoyloxymethyl]pentoxy]carbonyloxy-2,2-diethylbutoxy]carbonylamino]butylcarbamoyloxy]pentyl prop-2-enoate
CID 59372722
2-prop-2-enoyloxyethyl 8-[3-[6-(ethoxycarbonylamino)hexyl]-2,4,6-trioxo-5-[6-(2-prop-2-enoyloxyethoxycarbonylamino)hexyl]-1,3,5-triazinan-1-yl]octanoate
CID 58291285

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxycarbonylamino)pentyl prop-2-enoate?
The IUPAC name of 5-(ethoxycarbonylamino)pentyl prop-2-enoate (CID 118485730) is 5-(ethoxycarbonylamino)pentyl prop-2-enoate.
What is the SMILES notation for 5-(ethoxycarbonylamino)pentyl prop-2-enoate?
The canonical SMILES for 5-(ethoxycarbonylamino)pentyl prop-2-enoate is C=CC(=O)OCCCCCNC(=O)OCC.
What is the InChIKey of 5-(ethoxycarbonylamino)pentyl prop-2-enoate?
The InChIKey is SWPHVYDIYUNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-10(13)16-9-7-5-6-8-12-11(14)15-4-2/h3H,1,4-9H2,2H3,(H,12,14).
What are the key properties of 5-(ethoxycarbonylamino)pentyl prop-2-enoate?
5-(ethoxycarbonylamino)pentyl prop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxycarbonylamino)pentyl prop-2-enoate is sourced from PubChem (CID 118485730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).