[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C19H26N2O4 — CID 7466383

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCC(C)C)CC1=O
InChIInChI=1S/C19H26N2O4/c1-4-14-7-5-6-8-16(14)21-11-15(9-18(21)23)19(24)25-12-17(22)20-10-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLJMTWFKHUFPPTR-HNNXBMFYSA-N
MW346.43 g/mol
LogP1.92
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7466383) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7466383
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCC(C)C)CC1=O
InChIInChI=1S/C19H26N2O4/c1-4-14-7-5-6-8-16(14)21-11-15(9-18(21)23)19(24)25-12-17(22)20-10-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLJMTWFKHUFPPTR-HNNXBMFYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798856
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7799027
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798733
[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(cycloheptylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466578
[2-(2-methylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466529
[2-(2-methylpropylamino)-2-oxoethyl] (3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7725322
[2-(4-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42016901
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798726
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466545
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 8881538

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7466383) is [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCC(C)C)CC1=O.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LJMTWFKHUFPPTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-14-7-5-6-8-16(14)21-11-15(9-18(21)23)19(24)25-12-17(22)20-10-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7466383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).