methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate

C11H19NO3 — CID 112632759

IUPACmethyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC=C(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(13)6-10(12)11(14)15-3/h4,9-10,13H,5-7H2,1-3H3
InChIKeyWZNNFDPFKRWUGL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.56
Rot. Bonds3

About methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate (PubChem CID 112632759) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
PubChem CID112632759
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC=C(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(13)6-10(12)11(14)15-3/h4,9-10,13H,5-7H2,1-3H3
InChIKeyWZNNFDPFKRWUGL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl (2S,4S)-4-hydroxy-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylate
CID 71969468
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 1-(2,2-diethoxyethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632787

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate (CID 112632759) is methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CC=C(C)C.
What is the InChIKey of methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate?
The InChIKey is WZNNFDPFKRWUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)4-5-12-7-9(13)6-10(12)11(14)15-3/h4,9-10,13H,5-7H2,1-3H3.
What are the key properties of methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate 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-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).