1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C13H14Cl2N2O3 — CID 43441795

IUPAC1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-3-4-9(15)10(6-8)16-12(18)7-17-5-1-2-11(17)13(19)20/h3-4,6,11H,1-2,5,7H2,(H,16,18)(H,19,20)
InChIKeyWOKGTZXIIRWHKR-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441795) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43441795
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCCC1C(=O)O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c14-8-3-4-9(15)10(6-8)16-12(18)7-17-5-1-2-11(17)13(19)20/h3-4,6,11H,1-2,5,7H2,(H,16,18)(H,19,20)
InChIKeyWOKGTZXIIRWHKR-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dichloroanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82905746
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441373
N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406317
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
CID 46406204
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 11931116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43441795) is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCCC1C(=O)O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WOKGTZXIIRWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-3-4-9(15)10(6-8)16-12(18)7-17-5-1-2-11(17)13(19)20/h3-4,6,11H,1-2,5,7H2,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).