methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate

C10H19NO3 — CID 79896709

IUPACmethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate
SMILESCCN(C=CC(=O)OC)CC(C)(C)O
InChIInChI=1S/C10H19NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h6-7,13H,5,8H2,1-4H3
InChIKeyMKGKGMJVVDQVJE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds5

About methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate

methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate (PubChem CID 79896709) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate
PubChem CID79896709
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate
SMILESCCN(C=CC(=O)OC)CC(C)(C)O
InChIInChI=1S/C10H19NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h6-7,13H,5,8H2,1-4H3
InChIKeyMKGKGMJVVDQVJE-UHFFFAOYSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate?
The IUPAC name of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate (CID 79896709) is methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate?
The canonical SMILES for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate is CCN(C=CC(=O)OC)CC(C)(C)O.
What is the InChIKey of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate?
The InChIKey is MKGKGMJVVDQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(8-10(2,3)13)7-6-9(12)14-4/h6-7,13H,5,8H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate?
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]prop-2-enoate is sourced from PubChem (CID 79896709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).