2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

C18H21ClN2O6 — CID 125132490

IUPAC2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O
InChIInChI=1S/C18H21ClN2O6/c1-26-15-3-2-12(19)7-14(15)21-9-11(6-16(21)22)18(25)20-4-5-27-13(10-20)8-17(23)24/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,23,24)/t11-,13+/m0/s1
InChIKeyFDGCQORAGXYMAP-WCQYABFASA-N
MW396.83 g/mol
LogP1.40
Rot. Bonds5

About 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 125132490) has the molecular formula C18H21ClN2O6 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID125132490
Molecular FormulaC18H21ClN2O6
Molecular Weight396.83 g/mol
Exact Mass396.11
IUPAC Name2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O
InChIInChI=1S/C18H21ClN2O6/c1-26-15-3-2-12(19)7-14(15)21-9-11(6-16(21)22)18(25)20-4-5-27-13(10-20)8-17(23)24/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,23,24)/t11-,13+/m0/s1
InChIKeyFDGCQORAGXYMAP-WCQYABFASA-N
XLogP1.40
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975
2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247970
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
(4S)-1-(2,5-dimethoxyphenyl)-4-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94020901
1-(5-chloro-2-methoxyphenyl)-4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyrrolidin-2-one
CID 119636314
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
1-(2-methoxyphenyl)-4-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 134040096
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (CID 125132490) is 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCO[C@H](CC(=O)O)C2)CC1=O.
What is the InChIKey of 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is FDGCQORAGXYMAP-WCQYABFASA-N. The full InChI is InChI=1S/C18H21ClN2O6/c1-26-15-3-2-12(19)7-14(15)21-9-11(6-16(21)22)18(25)20-4-5-27-13(10-20)8-17(23)24/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,23,24)/t11-,13+/m0/s1.
What are the key properties of 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 396.83 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125132490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).