2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid

C14H19NO4 — CID 65067754

IUPAC2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(CN2CCCC2CC(=O)O)cc1O
InChIInChI=1S/C14H19NO4/c1-19-13-5-4-10(7-12(13)16)9-15-6-2-3-11(15)8-14(17)18/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyMXRFSUPKSPCMPF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65067754) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID65067754
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(CN2CCCC2CC(=O)O)cc1O
InChIInChI=1S/C14H19NO4/c1-19-13-5-4-10(7-12(13)16)9-15-6-2-3-11(15)8-14(17)18/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyMXRFSUPKSPCMPF-UHFFFAOYSA-N
XLogP1.84
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 65062672
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
2-methoxy-4-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 106789234
2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 65068120
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid (CID 65067754) is 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid is COc1ccc(CN2CCCC2CC(=O)O)cc1O.
What is the InChIKey of 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MXRFSUPKSPCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-13-5-4-10(7-12(13)16)9-15-6-2-3-11(15)8-14(17)18/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65067754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).