methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate

C15H17Cl2NO3 — CID 43423525

IUPACmethyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)13-3-2-8-18(13)14(19)7-5-10-4-6-11(16)9-12(10)17/h4,6,9,13H,2-3,5,7-8H2,1H3
InChIKeyJLXUOKFKUOQBSU-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.09
Rot. Bonds4

About methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate

methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 43423525) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
PubChem CID43423525
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Namemethyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO3/c1-21-15(20)13-3-2-8-18(13)14(19)7-5-10-4-6-11(16)9-12(10)17/h4,6,9,13H,2-3,5,7-8H2,1H3
InChIKeyJLXUOKFKUOQBSU-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
methyl 2-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-2-yl]acetate
CID 60520938
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
methyl (2S)-1-[3-(3,5-dichloro-4-hydroxyphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylate
CID 15056313
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate (CID 43423525) is methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is JLXUOKFKUOQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-21-15(20)13-3-2-8-18(13)14(19)7-5-10-4-6-11(16)9-12(10)17/h4,6,9,13H,2-3,5,7-8H2,1H3.
What are the key properties of methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate?
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 330.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43423525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).