2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid

C14H19NO3 — CID 65068061

IUPAC2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(c1cccc(O)c1)N1CCCC1CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14(17)18/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18)
InChIKeyBDUBRUNMWORVBM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65068061) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID65068061
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(c1cccc(O)c1)N1CCCC1CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14(17)18/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18)
InChIKeyBDUBRUNMWORVBM-UHFFFAOYSA-N
XLogP2.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
2-[1-[1-(3-cyanophenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067951
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067867
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
2-[1-[1-(1,3-benzothiazol-2-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068157
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]acetic acid
CID 65068169
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid (CID 65068061) is 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid is CC(c1cccc(O)c1)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BDUBRUNMWORVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-4-2-6-13(16)8-11)15-7-3-5-12(15)9-14(17)18/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65068061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).