benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate

C20H20ClNO4 — CID 1270397

IUPACbenzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C20H20ClNO4/c1-25-18-10-9-15(21)12-16(18)19(23)22-11-5-8-17(22)20(24)26-13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m1/s1
InChIKeyVIKHXVCFNKPRLT-QGZVFWFLSA-N
MW373.84 g/mol
LogP3.70
Rot. Bonds5

About benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate

benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 1270397) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID1270397
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Namebenzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C20H20ClNO4/c1-25-18-10-9-15(21)12-16(18)19(23)22-11-5-8-17(22)20(24)26-13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m1/s1
InChIKeyVIKHXVCFNKPRLT-QGZVFWFLSA-N
XLogP3.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500
1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 55654348
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 1270397) is benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate is COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is VIKHXVCFNKPRLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-25-18-10-9-15(21)12-16(18)19(23)22-11-5-8-17(22)20(24)26-13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m1/s1.
What are the key properties of benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate?
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 373.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 1270397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).