2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid

C12H14ClNO3 — CID 117108587

IUPAC2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C12H14ClNO3/c13-8-4-3-5-9(14-6-1-2-7-14)10(8)11(15)12(16)17/h3-5,11,15H,1-2,6-7H2,(H,16,17)
InChIKeyMUDIXNNEFKRJNX-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid

2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid (PubChem CID 117108587) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
PubChem CID117108587
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C12H14ClNO3/c13-8-4-3-5-9(14-6-1-2-7-14)10(8)11(15)12(16)17/h3-5,11,15H,1-2,6-7H2,(H,16,17)
InChIKeyMUDIXNNEFKRJNX-UHFFFAOYSA-N
XLogP2.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanol
CID 117108221
2-amino-2-(2-bromo-6-pyrrolidin-1-ylphenyl)acetic acid
CID 117115126
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117416079
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
2-[2-chloro-6-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633815
2-[[(2-chloro-6-pyrrolidin-1-ylphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073263
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117350296
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid (CID 117108587) is 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1c(Cl)cccc1N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is MUDIXNNEFKRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-8-4-3-5-9(14-6-1-2-7-14)10(8)11(15)12(16)17/h3-5,11,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid?
2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 255.70 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).