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

C14H19NO3 — CID 61369953

IUPAC2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(CN2CCCC2CC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)10-15-7-3-5-12(15)9-14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyNPWGFNVHEQVRAH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds5

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

2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61369953) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61369953
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(CN2CCCC2CC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)10-15-7-3-5-12(15)9-14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyNPWGFNVHEQVRAH-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-[2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 154748125
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid (CID 61369953) is 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid is COc1cccc(CN2CCCC2CC(=O)O)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NPWGFNVHEQVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-6-2-4-11(8-13)10-15-7-3-5-12(15)9-14(16)17/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61369953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).