(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate

C11H10NO4- — CID 6945519

IUPAC(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2cccc(O)c2)C1
InChIInChI=1S/C11H11NO4/c13-9-3-1-2-8(5-9)12-6-7(11(15)16)4-10(12)14/h1-3,5,7,13H,4,6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeySSCXSGYHQKJLBC-SSDOTTSWSA-M
MW220.20 g/mol
LogP-0.50
Rot. Bonds2

About (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate

(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 6945519) has the molecular formula C11H10NO4- and a molecular weight of 220.20 g/mol. Its IUPAC name is (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID6945519
Molecular FormulaC11H10NO4-
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2cccc(O)c2)C1
InChIInChI=1S/C11H11NO4/c13-9-3-1-2-8(5-9)12-6-7(11(15)16)4-10(12)14/h1-3,5,7,13H,4,6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeySSCXSGYHQKJLBC-SSDOTTSWSA-M
XLogP-0.50
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6926305
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
(3R)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2376773
(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97202403
(4R)-4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 95860840
1-(3-hydroxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidine-3-carboxamide
CID 74235590
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
(3S)-1-(3-iodophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 99988733

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 6945519) is (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(c2cccc(O)c2)C1.
What is the InChIKey of (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SSCXSGYHQKJLBC-SSDOTTSWSA-M. The full InChI is InChI=1S/C11H11NO4/c13-9-3-1-2-8(5-9)12-6-7(11(15)16)4-10(12)14/h1-3,5,7,13H,4,6H2,(H,15,16)/p-1/t7-/m1/s1.
What are the key properties of (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 220.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6945519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).