(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C21H21N3O5 — CID 9168892

IUPAC(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O
InChIInChI=1S/C21H21N3O5/c1-14-7-5-6-10-17(14)20(27)23-24-12-15(11-19(24)26)21(28)29-13-18(25)22-16-8-3-2-4-9-16/h2-10,15H,11-13H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyFTNSCEYWWFTIDR-OAHLLOKOSA-N
MW395.42 g/mol
LogP1.67
Rot. Bonds6

About (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 9168892) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID9168892
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O
InChIInChI=1S/C21H21N3O5/c1-14-7-5-6-10-17(14)20(27)23-24-12-15(11-19(24)26)21(28)29-13-18(25)22-16-8-3-2-4-9-16/h2-10,15H,11-13H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1
InChIKeyFTNSCEYWWFTIDR-OAHLLOKOSA-N
XLogP1.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] (3S)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579545
[2-(3-methylanilino)-2-oxoethyl] (3S)-1-[(2-methoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124578842
[2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166626
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677
1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 3329799
[2-(2-methylanilino)-2-oxoethyl] (3S)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580701
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579905
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-[(2-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579800
[2-(4-bromo-2-methylanilino)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579296
[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281763
(2-anilino-2-oxoethyl) 1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 17258917
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166701

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 9168892) is (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O.
What is the InChIKey of (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FTNSCEYWWFTIDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14-7-5-6-10-17(14)20(27)23-24-12-15(11-19(24)26)21(28)29-13-18(25)22-16-8-3-2-4-9-16/h2-10,15H,11-13H2,1H3,(H,22,25)(H,23,27)/t15-/m1/s1.
What are the key properties of (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9168892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).