methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate

C18H23N3O6S — CID 45492118

IUPACmethyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H23N3O6S/c1-27-17(23)11-19-18(24)13-10-16(22)21(12-13)14-4-6-15(7-5-14)28(25,26)20-8-2-3-9-20/h4-7,13H,2-3,8-12H2,1H3,(H,19,24)
InChIKeyIDAFZTBVNOCVED-UHFFFAOYSA-N
MW409.46 g/mol
LogP0.11
Rot. Bonds6

About methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate

methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate (PubChem CID 45492118) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate
PubChem CID45492118
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Namemethyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H23N3O6S/c1-27-17(23)11-19-18(24)13-10-16(22)21(12-13)14-4-6-15(7-5-14)28(25,26)20-8-2-3-9-20/h4-7,13H,2-3,8-12H2,1H3,(H,19,24)
InChIKeyIDAFZTBVNOCVED-UHFFFAOYSA-N
XLogP0.11
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
(3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402641
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125
(3S)-5-oxo-N-(pyridin-3-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720889
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51721644
(3R)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51719157
(3S)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 40932489

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate (CID 45492118) is methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is IDAFZTBVNOCVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-27-17(23)11-19-18(24)13-10-16(22)21(12-13)14-4-6-15(7-5-14)28(25,26)20-8-2-3-9-20/h4-7,13H,2-3,8-12H2,1H3,(H,19,24).
What are the key properties of methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate?
methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 409.46 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 45492118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).