2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid

C12H15NO3 — CID 67085852

IUPAC2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12(15)16/h3-6,10,14H,1-2,7-8H2,(H,15,16)
InChIKeyAGKWSONGEFIPLH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.84
Rot. Bonds3

About 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid

2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid (PubChem CID 67085852) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
PubChem CID67085852
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12(15)16/h3-6,10,14H,1-2,7-8H2,(H,15,16)
InChIKeyAGKWSONGEFIPLH-UHFFFAOYSA-N
XLogP1.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-(1,3-benzodioxol-5-yl)pyrrolidin-2-yl]acetic acid
CID 82383161
2-[1-[4-[(3,4-difluorophenyl)methyl]phenyl]pyrrolidin-2-yl]acetic acid
CID 51348011
2-[1-[4-(naphthalen-2-ylmethyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 51348596
2-[1-[4-(2-methylbenzoyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 67085733
2-[1-(6-cyano-3-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 115487257
2-[(2S)-1-[4-(3-bromophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218624
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496
2-[1-[4-[(2-fluoro-5-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 51347255
2-[(2R)-1-[4-(2-benzylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218592
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid (CID 67085852) is 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is AGKWSONGEFIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-5-3-9(4-6-11)13-7-1-2-10(13)8-12(15)16/h3-6,10,14H,1-2,7-8H2,(H,15,16).
What are the key properties of 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 67085852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).