2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid

C18H22N2O5 — CID 125150614

IUPAC2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(N2CCCC2=O)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1
InChIInChI=1S/C18H22N2O5/c1-12-4-5-15(20-6-2-3-16(20)21)14(9-12)18(24)19-7-8-25-13(11-19)10-17(22)23/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyFHPRFHYSUPZQNX-CYBMUJFWSA-N
MW346.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 125150614) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID125150614
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(N2CCCC2=O)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1
InChIInChI=1S/C18H22N2O5/c1-12-4-5-15(20-6-2-3-16(20)21)14(9-12)18(24)19-7-8-25-13(11-19)10-17(22)23/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyFHPRFHYSUPZQNX-CYBMUJFWSA-N
XLogP1.44
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-2,3-dioxo-2,3-dihydro-indol-1-yl)-acetic acid isopropyl ester
CID 3157310
Methyl methyl[2-(4-morpholinylcarbonyl)phenyl]carbamate
CID 680922
[(3R*,4R*)-1-[2-(dimethylamino)benzoyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70720531
N-ethyl-2-morpholin-4-yl-N-(oxolan-3-ylmethyl)benzamide
CID 71935134
1-{[(3R*,4R*)-1-[2-(dimethylamino)benzoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
CID 72862898
(4-Ethoxypiperidin-1-yl)-[5-methyl-2-[methyl(propan-2-yl)amino]phenyl]methanone
CID 72127089
2-[4-(2-Carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
CID 66433243
2-[4-(2-Amino-5-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434395
2-[4-(2-Carbamoyl-3-fluorophenyl)morpholin-2-yl]acetic acid
CID 79513293
2-[4-(2-Amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 81506780
Methyl 2-[4-(2-amino-5-fluorobenzoyl)morpholin-2-yl]acetate
CID 115533266
Methyl 2-[4-(2-amino-4-fluorobenzoyl)morpholin-2-yl]acetate
CID 115534996

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid (CID 125150614) is 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid is Cc1ccc(N2CCCC2=O)c(C(=O)N2CCO[C@H](CC(=O)O)C2)c1.
What is the InChIKey of 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is FHPRFHYSUPZQNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-4-5-15(20-6-2-3-16(20)21)14(9-12)18(24)19-7-8-25-13(11-19)10-17(22)23/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[5-methyl-2-(2-oxopyrrolidin-1-yl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125150614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).