2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate

C10H17NO4 — CID 11492219

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyBCDGNKDNRWGUJA-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 11492219) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID11492219
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyBCDGNKDNRWGUJA-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.24
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate (CID 11492219) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is BCDGNKDNRWGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 11492219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).