methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate

C19H26N2O4 — CID 175838128

IUPACmethyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)CC1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2O4/c1-13-4-6-15(7-5-13)12-21-16(8-9-18(21)23)11-17(22)20-14(2)10-19(24)25-3/h4-7,14,16H,8-12H2,1-3H3,(H,20,22)
InChIKeyLUYZNQZRRWUZOB-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds7

About methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate

methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate (PubChem CID 175838128) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
PubChem CID175838128
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)CC1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2O4/c1-13-4-6-15(7-5-13)12-21-16(8-9-18(21)23)11-17(22)20-14(2)10-19(24)25-3/h4-7,14,16H,8-12H2,1-3H3,(H,20,22)
InChIKeyLUYZNQZRRWUZOB-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate with MolForge

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Related Compounds

1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
Dipeptide diaminobutyroyl benzylamide diacetate
CID 71465152
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
1-cyclooctyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
CID 3236032
N-(sec-butyl)-1-(4-methylbenzyl)-5-oxoprolinamide
CID 3237270
N-isopropyl-1-(4-methylbenzyl)-5-oxoprolinamide
CID 3245045
1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
CID 4283575
1-isopropyl-N-(4-methylbenzyl)-5-oxoprolinamide
CID 3336542
1-cycloheptyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 3674456
1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4057718
1-cyclopentyl-N-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4662677

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate?
The IUPAC name of methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate (CID 175838128) is methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate.
What is the SMILES notation for methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate?
The canonical SMILES for methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate is COC(=O)CC(C)NC(=O)CC1CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate?
The InChIKey is LUYZNQZRRWUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-4-6-15(7-5-13)12-21-16(8-9-18(21)23)11-17(22)20-14(2)10-19(24)25-3/h4-7,14,16H,8-12H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate?
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate has a molecular weight of 346.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate is sourced from PubChem (CID 175838128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).