methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate

C11H19NO3 — CID 103728883

IUPACmethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CCC(C)(O)C1
InChIInChI=1S/C11H19NO3/c1-9(10(13)15-3)4-6-12-7-5-11(2,14)8-12/h4,14H,5-8H2,1-3H3
InChIKeyMADOEMIMUSMSGE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.56
Rot. Bonds3

About methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate

methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate (PubChem CID 103728883) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate
PubChem CID103728883
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CCC(C)(O)C1
InChIInChI=1S/C11H19NO3/c1-9(10(13)15-3)4-6-12-7-5-11(2,14)8-12/h4,14H,5-8H2,1-3H3
InChIKeyMADOEMIMUSMSGE-UHFFFAOYSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.56
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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Related Compounds

methyl 4-(2,2-dimethylthiomorpholin-4-yl)-2-methylbut-2-enoate
CID 103740109
methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbut-2-enoate
CID 77074412
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanoate
CID 103729366
methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate
CID 106670121
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
methyl 4-(3,5-dimethylpiperidin-1-yl)-2-methylbut-2-enoate
CID 77074603
(Z)-2-methyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoic acid
CID 106318992
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103728551
methyl 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbut-2-enoate
CID 103942816
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate (CID 103728883) is methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate is COC(=O)C(C)=CCN1CCC(C)(O)C1.
What is the InChIKey of methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate?
The InChIKey is MADOEMIMUSMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(10(13)15-3)4-6-12-7-5-11(2,14)8-12/h4,14H,5-8H2,1-3H3.
What are the key properties of methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate?
methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate is sourced from PubChem (CID 103728883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).