[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate

C14H17NO5 — CID 134863514

IUPAC[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc(C[C@H]2NC(=O)[C@H](OC(C)=O)[C@H]2O)cc1
InChIInChI=1S/C14H17NO5/c1-8(16)20-13-12(17)11(15-14(13)18)7-9-3-5-10(19-2)6-4-9/h3-6,11-13,17H,7H2,1-2H3,(H,15,18)/t11-,12+,13-/m1/s1
InChIKeyURDGJFKNWZQOPX-FRRDWIJNSA-N
MW279.29 g/mol
LogP0.03
Rot. Bonds4

About [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate

[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate (PubChem CID 134863514) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
PubChem CID134863514
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate
SMILESCOc1ccc(C[C@H]2NC(=O)[C@H](OC(C)=O)[C@H]2O)cc1
InChIInChI=1S/C14H17NO5/c1-8(16)20-13-12(17)11(15-14(13)18)7-9-3-5-10(19-2)6-4-9/h3-6,11-13,17H,7H2,1-2H3,(H,15,18)/t11-,12+,13-/m1/s1
InChIKeyURDGJFKNWZQOPX-FRRDWIJNSA-N
XLogP0.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate with MolForge

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Related Compounds

[(1R,2R,3S,4R,5S)-2-hydroxy-5-[(4-methoxyphenyl)methoxy]-6-oxo-3,4-bis(phenylmethoxy)cyclohexyl] acetate
CID 10864262
[(2R,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl] acetate
CID 11869389
[(2R,3S,4S)-1-acetyl-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 170419726
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
4-hydroxy-5-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-2-one
CID 123382630
6-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
CID 163095304
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7272193
(3R,6S)-6-[(4-methoxyphenyl)methyl]-5-oxothiomorpholine-3-carboxylic acid
CID 95002119
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
[(3S,4R,5R,6S)-5-hydroxy-2-methoxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-3-yl] acetate
CID 21307890

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate (CID 134863514) is [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate is COc1ccc(C[C@H]2NC(=O)[C@H](OC(C)=O)[C@H]2O)cc1.
What is the InChIKey of [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate?
The InChIKey is URDGJFKNWZQOPX-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8(16)20-13-12(17)11(15-14(13)18)7-9-3-5-10(19-2)6-4-9/h3-6,11-13,17H,7H2,1-2H3,(H,15,18)/t11-,12+,13-/m1/s1.
What are the key properties of [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate?
[(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate has a molecular weight of 279.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 134863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).