methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate

C10H19NO3 — CID 103259014

IUPACmethyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate
SMILESCCC(CCO)CN/C=C/C(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(5-7-12)8-11-6-4-10(13)14-2/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyXGOSIZWULZFLNJ-GQCTYLIASA-N
MW201.27 g/mol
LogP0.67
Rot. Bonds7

About methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate

methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate (PubChem CID 103259014) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate
PubChem CID103259014
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate
SMILESCCC(CCO)CN/C=C/C(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(5-7-12)8-11-6-4-10(13)14-2/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+
InChIKeyXGOSIZWULZFLNJ-GQCTYLIASA-N
XLogP0.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
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 (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate (CID 103259014) is methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate is CCC(CCO)CN/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate?
The InChIKey is XGOSIZWULZFLNJ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(5-7-12)8-11-6-4-10(13)14-2/h4,6,9,11-12H,3,5,7-8H2,1-2H3/b6-4+.
What are the key properties of methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate?
methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2-ethyl-4-hydroxybutyl)amino]prop-2-enoate is sourced from PubChem (CID 103259014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).