2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid

C17H21ClN2O6 — CID 120702014

IUPAC2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)C(=O)O
InChIInChI=1S/C17H21ClN2O6/c1-25-6-5-12(17(23)24)19-16(22)10-7-15(21)20(9-10)13-8-11(18)3-4-14(13)26-2/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyLHZNERDATLOOGE-UHFFFAOYSA-N
MW384.82 g/mol
LogP1.31
Rot. Bonds8

About 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid

2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 120702014) has the molecular formula C17H21ClN2O6 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID120702014
Molecular FormulaC17H21ClN2O6
Molecular Weight384.82 g/mol
Exact Mass384.11
IUPAC Name2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)C(=O)O
InChIInChI=1S/C17H21ClN2O6/c1-25-6-5-12(17(23)24)19-16(22)10-7-15(21)20(9-10)13-8-11(18)3-4-14(13)26-2/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyLHZNERDATLOOGE-UHFFFAOYSA-N
XLogP1.31
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid with MolForge

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
(E)-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hex-4-enoic acid
CID 120693126
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8957560
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108760142
ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878078
1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862
1-(5-chloro-2-methoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55589291
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
CID 42569429

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid (CID 120702014) is 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)C(=O)O.
What is the InChIKey of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is LHZNERDATLOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O6/c1-25-6-5-12(17(23)24)19-16(22)10-7-15(21)20(9-10)13-8-11(18)3-4-14(13)26-2/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid?
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 384.82 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).