(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C12H14N2O3 — CID 704642

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-8(12(13)16)6-11(14)15/h2-5,8H,6-7H2,1H3,(H2,13,16)/t8-/m1/s1
InChIKeyXIQFJODEOCNRBV-MRVPVSSYSA-N
MW234.25 g/mol
LogP0.53
Rot. Bonds3

About (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 704642) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID704642
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1
InChIInChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-8(12(13)16)6-11(14)15/h2-5,8H,6-7H2,1H3,(H2,13,16)/t8-/m1/s1
InChIKeyXIQFJODEOCNRBV-MRVPVSSYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 704642) is (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XIQFJODEOCNRBV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)14-7-8(12(13)16)6-11(14)15/h2-5,8H,6-7H2,1H3,(H2,13,16)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 704642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).