methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate

C10H17NO4 — CID 106670121

IUPACmethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CC(O)C(O)C1
InChIInChI=1S/C10H17NO4/c1-7(10(14)15-2)3-4-11-5-8(12)9(13)6-11/h3,8-9,12-13H,4-6H2,1-2H3
InChIKeyPLTZJNHZUUIJKU-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.86
Rot. Bonds3

About methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate

methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate (PubChem CID 106670121) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate
PubChem CID106670121
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CC(O)C(O)C1
InChIInChI=1S/C10H17NO4/c1-7(10(14)15-2)3-4-11-5-8(12)9(13)6-11/h3,8-9,12-13H,4-6H2,1-2H3
InChIKeyPLTZJNHZUUIJKU-UHFFFAOYSA-N
XLogP-0.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3,5-dimethylpiperidin-1-yl)-2-methylbut-2-enoate
CID 77074603
methyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbut-2-enoate
CID 77074412
methyl 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbut-2-enoate
CID 103942816
methyl 2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoate
CID 77074133
methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate
CID 103728883
methyl 4-(2,5-dimethylmorpholin-4-yl)-2-methylbut-2-enoate
CID 77074406
methyl 4-(2,2-dimethylthiomorpholin-4-yl)-2-methylbut-2-enoate
CID 103740109
methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 2-methyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoate
CID 77074476
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
methyl 5-amino-2-methylpent-2-enoate
CID 57069789

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate (CID 106670121) is methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate is COC(=O)C(C)=CCN1CC(O)C(O)C1.
What is the InChIKey of methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate?
The InChIKey is PLTZJNHZUUIJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(10(14)15-2)3-4-11-5-8(12)9(13)6-11/h3,8-9,12-13H,4-6H2,1-2H3.
What are the key properties of methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate?
methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate has a molecular weight of 215.25 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dihydroxypyrrolidin-1-yl)-2-methylbut-2-enoate is sourced from PubChem (CID 106670121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).