methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate

C13H25NO3 — CID 79407384

IUPACmethyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCCC1CCCO
InChIInChI=1S/C13H25NO3/c1-10(13(16)17-3)11(2)14-8-4-6-12(14)7-5-9-15/h10-12,15H,4-9H2,1-3H3
InChIKeyOSXVEAAVCSYABS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds6

About methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate

methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate (PubChem CID 79407384) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
PubChem CID79407384
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCCC1CCCO
InChIInChI=1S/C13H25NO3/c1-10(13(16)17-3)11(2)14-8-4-6-12(14)7-5-9-15/h10-12,15H,4-9H2,1-3H3
InChIKeyOSXVEAAVCSYABS-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
CID 79407214
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
3-[1-(4-amino-2,2-dimethylpentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62467343
3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468935
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468424
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylbutanoate
CID 79407124
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate (CID 79407384) is methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate is COC(=O)C(C)C(C)N1CCCC1CCCO.
What is the InChIKey of methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate?
The InChIKey is OSXVEAAVCSYABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(13(16)17-3)11(2)14-8-4-6-12(14)7-5-9-15/h10-12,15H,4-9H2,1-3H3.
What are the key properties of methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate?
methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate is sourced from PubChem (CID 79407384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).