2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate

C9H15NO4 — CID 19799335

IUPAC2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)C
InChIInChI=1S/C9H15NO4/c1-4-8(11)13-6-5-10-9(12)14-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyAICKFUBKDWOPRD-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.85
Rot. Bonds5

About 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate

2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate (PubChem CID 19799335) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate
PubChem CID19799335
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)C
InChIInChI=1S/C9H15NO4/c1-4-8(11)13-6-5-10-9(12)14-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyAICKFUBKDWOPRD-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.85
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

2-((tert-Butoxycarbonyl)amino)ethyl methacrylate
CID 11172242
2-Propenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl ester
CID 11492219
2-(Ethylcarbamoyloxy) ethyl acrylate
CID 20230537
2-Acetamidoethyl prop-2-enoate
CID 23089005
2-Acryloyloxyethyl urethane
CID 87964813
2-(((Propylamino)carbonyl)oxy)ethyl acrylate
CID 3023456
2-[2-[(2-Fluoroacetyl)amino]ethoxycarbonylamino]ethyl prop-2-enoate
CID 89417478
2-[[2-Acetyloxy-3-(2,2,3,3-tetrafluoropropoxy)propoxy]carbonylamino]ethyl prop-2-enoate
CID 89834099
2-(4,4,4-Trifluorobutoxycarbonylamino)ethyl prop-2-enoate
CID 89987998
2-(Fluoromethoxycarbonylamino)ethyl prop-2-enoate
CID 117784856
2-(2-Fluoroethoxycarbonylamino)ethyl prop-2-enoate
CID 117784857
1-(2-Prop-2-enoyloxyethylcarbamoyloxy)propan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 121441361

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate (CID 19799335) is 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC(C)C.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The InChIKey is AICKFUBKDWOPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-8(11)13-6-5-10-9(12)14-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate?
2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 19799335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).