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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Related Compounds

methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl hepta-4,6-dienoate
CID 53405107
2-[[(2E,4Z)-hepta-2,4,6-trienyl]-methylamino]acetic acid;2-methylpentane
CID 143971268
methyl 2-[[(E)-4-(4-ethenylanilino)-4-oxobut-2-enyl]-methylamino]acetate
CID 144832754
methyl 2-[methyl-[(2E)-penta-2,4-dienyl]amino]butanoate
CID 101060319
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
(E)-4-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]but-2-enoic acid
CID 167486900
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753

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).