1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H14Cl2N2O4 — CID 114351280

IUPAC1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(CN1CC(O)CC1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)12(8)16-11(19)6-17-5-7(18)4-10(17)13(20)21/h1-3,7,10,18H,4-6H2,(H,16,19)(H,20,21)
InChIKeyQQAKUNRWLXDGQB-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351280) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351280
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(CN1CC(O)CC1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)12(8)16-11(19)6-17-5-7(18)4-10(17)13(20)21/h1-3,7,10,18H,4-6H2,(H,16,19)(H,20,21)
InChIKeyQQAKUNRWLXDGQB-UHFFFAOYSA-N
XLogP1.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-bromoanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351769
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351274
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351786
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
(2S,4R)-1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104877883
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738788
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351280) is 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(CN1CC(O)CC1C(=O)O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QQAKUNRWLXDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c14-8-2-1-3-9(15)12(8)16-11(19)6-17-5-7(18)4-10(17)13(20)21/h1-3,7,10,18H,4-6H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 333.17 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).