2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

C17H19ClN2O5 — CID 119247970

IUPAC2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CCO1
InChIInChI=1S/C17H19ClN2O5/c18-12-1-3-13(4-2-12)20-9-11(7-15(20)21)17(24)19-5-6-25-14(10-19)8-16(22)23/h1-4,11,14H,5-10H2,(H,22,23)
InChIKeyUZAMYZXRMCPTIJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119247970) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119247970
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Name2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CCO1
InChIInChI=1S/C17H19ClN2O5/c18-12-1-3-13(4-2-12)20-9-11(7-15(20)21)17(24)19-5-6-25-14(10-19)8-16(22)23/h1-4,11,14H,5-10H2,(H,22,23)
InChIKeyUZAMYZXRMCPTIJ-UHFFFAOYSA-N
XLogP1.39
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132490
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
2-[(2R)-4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125133832
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid (CID 119247970) is 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CCO1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is UZAMYZXRMCPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c18-12-1-3-13(4-2-12)20-9-11(7-15(20)21)17(24)19-5-6-25-14(10-19)8-16(22)23/h1-4,11,14H,5-10H2,(H,22,23).
What are the key properties of 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 366.80 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).