methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate

C10H17NO3 — CID 103264166

IUPACmethyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1(C)CCOCC1
InChIInChI=1S/C10H17NO3/c1-10(4-7-14-8-5-10)11-6-3-9(12)13-2/h3,6,11H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZNYMZWKYEMGFIU-ZZXKWVIFSA-N
MW199.25 g/mol
LogP0.83
Rot. Bonds3

About methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate

methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate (PubChem CID 103264166) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate
PubChem CID103264166
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC1(C)CCOCC1
InChIInChI=1S/C10H17NO3/c1-10(4-7-14-8-5-10)11-6-3-9(12)13-2/h3,6,11H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZNYMZWKYEMGFIU-ZZXKWVIFSA-N
XLogP0.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.83
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 (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate (CID 103264166) is methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate is COC(=O)/C=C/NC1(C)CCOCC1.
What is the InChIKey of methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate?
The InChIKey is ZNYMZWKYEMGFIU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(4-7-14-8-5-10)11-6-3-9(12)13-2/h3,6,11H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate?
methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(4-methyloxan-4-yl)amino]prop-2-enoate is sourced from PubChem (CID 103264166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).