[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone

C11H13NO4 — CID 79411207

IUPAC[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13NO4/c13-8-3-1-7(2-4-8)11(16)12-5-9(14)10(15)6-12/h1-4,9-10,13-15H,5-6H2/t9-,10+
InChIKeyZHSCCAWTACWLQG-AOOOYVTPSA-N
MW223.23 g/mol
LogP-0.43
Rot. Bonds1

About [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 79411207) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID79411207
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H13NO4/c13-8-3-1-7(2-4-8)11(16)12-5-9(14)10(15)6-12/h1-4,9-10,13-15H,5-6H2/t9-,10+
InChIKeyZHSCCAWTACWLQG-AOOOYVTPSA-N
XLogP-0.43
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
CID 130695751
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
(3,4-dihydroxypyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 106671289
(3,4-dihydroxypyrrolidin-1-yl)-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 106673086
[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]methanone
CID 66960507
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(4-hydroxyphenyl)phenyl]methanone
CID 172672484
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone (CID 79411207) is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is ZHSCCAWTACWLQG-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H13NO4/c13-8-3-1-7(2-4-8)11(16)12-5-9(14)10(15)6-12/h1-4,9-10,13-15H,5-6H2/t9-,10+.
What are the key properties of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 223.23 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 79411207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).