methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate

C15H19NO5 — CID 135011559

IUPACmethyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)C(O)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3
InChIKeyARAKSEGUBQTDRQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.72
Rot. Bonds4

About methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate

methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 135011559) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID135011559
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)C(O)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3
InChIKeyARAKSEGUBQTDRQ-UHFFFAOYSA-N
XLogP0.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N5-(4-Methoxybenzyl)glutamine
CID 131751461
1-(4-Isopropoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 652399
1-(4-Ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 590998
2-Pyrrolidinone, 4-hydroxy-1-(4-methoxybenzoyl)-, (+-)-
CID 3060806
1-(4-Propoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 648078
methyl (2S)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 11821439
(2S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10800610
[(1S,4R,7R,8R)-5-[(4-methoxyphenyl)methyl]-7-methyl-3,6-dioxo-1-propan-2-yl-2-oxa-5-azaspiro[3.4]octan-8-yl] trifluoromethanesulfonate
CID 11705378
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363685
Ethyl 1-(4-methoxybenzoyl)-2-methylpyrrolidine-2-carboxylate
CID 49789591
(4R)-4-amino-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
CID 49824276
(2S*,4S*,5R*)-2-ethyl-4-{[ethyl(2-hydroxyethyl)amino]carbonyl}-5-(4-methoxyphenyl)-1-methylpyrrolidine-2-carboxylic acid
CID 56741503

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate (CID 135011559) is methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)C1(C)C(O)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ARAKSEGUBQTDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(14(19)21-3)12(17)8-13(18)16(15)9-10-4-6-11(20-2)7-5-10/h4-7,12,17H,8-9H2,1-3H3.
What are the key properties of methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate?
methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 135011559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).