methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate

C9H15NO2 — CID 134927445

IUPACmethyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate
SMILESC=C/C=C\CN(C)CC(=O)OC
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-10(2)8-9(11)12-3/h4-6H,1,7-8H2,2-3H3/b6-5-
InChIKeyMEHMPNQYMPNFKZ-WAYWQWQTSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds5

About methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate

methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate (PubChem CID 134927445) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate
PubChem CID134927445
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate
SMILESC=C/C=C\CN(C)CC(=O)OC
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-10(2)8-9(11)12-3/h4-6H,1,7-8H2,2-3H3/b6-5-
InChIKeyMEHMPNQYMPNFKZ-WAYWQWQTSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate (CID 134927445) is methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate is C=C/C=C\CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate?
The InChIKey is MEHMPNQYMPNFKZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-6-7-10(2)8-9(11)12-3/h4-6H,1,7-8H2,2-3H3/b6-5-.
What are the key properties of methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate?
methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate has a molecular weight of 169.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate is sourced from PubChem (CID 134927445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).