methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate

C11H20N2O2 — CID 79896010

IUPACmethyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate
SMILESCOC(=O)C=CN(C)CC1CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-12-6-4-10(8-12)9-13(2)7-5-11(14)15-3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeySTPZVDSEUWWCLO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.56
Rot. Bonds4

About methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate

methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate (PubChem CID 79896010) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate
PubChem CID79896010
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate
SMILESCOC(=O)C=CN(C)CC1CCN(C)C1
InChIInChI=1S/C11H20N2O2/c1-12-6-4-10(8-12)9-13(2)7-5-11(14)15-3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeySTPZVDSEUWWCLO-UHFFFAOYSA-N
XLogP0.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.56
H-Bond Donors ≤ 50
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-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate?
The IUPAC name of methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate (CID 79896010) is methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate?
The canonical SMILES for methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate is COC(=O)C=CN(C)CC1CCN(C)C1.
What is the InChIKey of methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate?
The InChIKey is STPZVDSEUWWCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-6-4-10(8-12)9-13(2)7-5-11(14)15-3/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate?
methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]prop-2-enoate is sourced from PubChem (CID 79896010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).