2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate

C10H17NO4 — CID 20722178

IUPAC2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-15-10(13)11-5-7-14-9(12)8(2)3/h2,4-7H2,1,3H3,(H,11,13)
InChIKeyBTDRBQQKRDEXQS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds6

About 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 20722178) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID20722178
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-15-10(13)11-5-7-14-9(12)8(2)3/h2,4-7H2,1,3H3,(H,11,13)
InChIKeyBTDRBQQKRDEXQS-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 20722178) is 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCC.
What is the InChIKey of 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is BTDRBQQKRDEXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-15-10(13)11-5-7-14-9(12)8(2)3/h2,4-7H2,1,3H3,(H,11,13).
What are the key properties of 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20722178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).