methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate

C15H21NO3 — CID 115463329

IUPACmethyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C15H21NO3/c1-19-15(18)8-13-4-2-3-5-14(13)10-16-7-6-12(9-16)11-17/h2-5,12,17H,6-11H2,1H3
InChIKeyYHXLWRNVPJRZER-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.22
Rot. Bonds5

About methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate

methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate (PubChem CID 115463329) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
PubChem CID115463329
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C15H21NO3/c1-19-15(18)8-13-4-2-3-5-14(13)10-16-7-6-12(9-16)11-17/h2-5,12,17H,6-11H2,1H3
InChIKeyYHXLWRNVPJRZER-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
CID 114511061
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 115462600
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate (CID 115463329) is methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN1CCC(CO)C1.
What is the InChIKey of methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate?
The InChIKey is YHXLWRNVPJRZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-15(18)8-13-4-2-3-5-14(13)10-16-7-6-12(9-16)11-17/h2-5,12,17H,6-11H2,1H3.
What are the key properties of methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate?
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate is sourced from PubChem (CID 115463329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).