methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate

C11H21NO3 — CID 79823137

IUPACmethyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,14)5-7-12-6-4-9(8-12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyQFCPYVVXIDGWNZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate

methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate (PubChem CID 79823137) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
PubChem CID79823137
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,14)5-7-12-6-4-9(8-12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyQFCPYVVXIDGWNZ-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-3-carboxylate
CID 112730817
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate (CID 79823137) is methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(CCC(C)(C)O)C1.
What is the InChIKey of methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate?
The InChIKey is QFCPYVVXIDGWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,14)5-7-12-6-4-9(8-12)10(13)15-3/h9,14H,4-8H2,1-3H3.
What are the key properties of methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate?
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 79823137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).