(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C19H24N2O6 — CID 125149870

IUPAC(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2=O)cc1OC
InChIInChI=1S/C19H24N2O6/c1-19(18(24)25)6-7-20(11-19)17(23)12-8-16(22)21(10-12)13-4-5-14(26-2)15(9-13)27-3/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,24,25)/t12-,19+/m0/s1
InChIKeyWRSVDCFEFFECID-HXPMCKFVSA-N
MW376.41 g/mol
LogP1.38
Rot. Bonds5

About (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 125149870) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID125149870
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2=O)cc1OC
InChIInChI=1S/C19H24N2O6/c1-19(18(24)25)6-7-20(11-19)17(23)12-8-16(22)21(10-12)13-4-5-14(26-2)15(9-13)27-3/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,24,25)/t12-,19+/m0/s1
InChIKeyWRSVDCFEFFECID-HXPMCKFVSA-N
XLogP1.38
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 125149004
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013232
1-(3,4-dimethoxyphenyl)-4-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110421848
1-(3,4-dimethoxyphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56572578
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 46576773
1-(3,4-dimethoxyphenyl)-4-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110624484
1-(3,4-dimethoxyphenyl)-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55742975
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
1-(3,4-dimethoxyphenyl)-4-[3-(furan-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110424641
(4S)-4-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29132030
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 125149870) is (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is COc1ccc(N2C[C@@H](C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2=O)cc1OC.
What is the InChIKey of (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WRSVDCFEFFECID-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-19(18(24)25)6-7-20(11-19)17(23)12-8-16(22)21(10-12)13-4-5-14(26-2)15(9-13)27-3/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,24,25)/t12-,19+/m0/s1.
What are the key properties of (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125149870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).