methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate

C14H19NO3 — CID 117270175

IUPACmethyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(Cc2cccc(O)c2)CN1
InChIInChI=1S/C14H19NO3/c1-14(13(17)18-2)8-11(9-15-14)6-10-4-3-5-12(16)7-10/h3-5,7,11,15-16H,6,8-9H2,1-2H3
InChIKeyVRCIZJBSHZTLHA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds3

About methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate

methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate (PubChem CID 117270175) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate
PubChem CID117270175
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(Cc2cccc(O)c2)CN1
InChIInChI=1S/C14H19NO3/c1-14(13(17)18-2)8-11(9-15-14)6-10-4-3-5-12(16)7-10/h3-5,7,11,15-16H,6,8-9H2,1-2H3
InChIKeyVRCIZJBSHZTLHA-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 117270201
4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 117270170
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-(azepan-4-ylmethyl)phenol
CID 83261812
4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 117269758
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399479
methyl 4-[(3-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270163
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate (CID 117270175) is methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate is COC(=O)C1(C)CC(Cc2cccc(O)c2)CN1.
What is the InChIKey of methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate?
The InChIKey is VRCIZJBSHZTLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(13(17)18-2)8-11(9-15-14)6-10-4-3-5-12(16)7-10/h3-5,7,11,15-16H,6,8-9H2,1-2H3.
What are the key properties of methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate?
methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 117270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).