methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate

C15H17NO6 — CID 168693335

IUPACmethyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C(=O)OC)CC2=O)cc1OC
InChIInChI=1S/C15H17NO6/c1-20-12-7-10(4-5-11(12)15(19)22-3)16-8-9(6-13(16)17)14(18)21-2/h4-5,7,9H,6,8H2,1-3H3
InChIKeyJARUFKSKUCKCNO-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.01
Rot. Bonds4

About methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693335) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693335
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Namemethyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C(=O)OC)CC2=O)cc1OC
InChIInChI=1S/C15H17NO6/c1-20-12-7-10(4-5-11(12)15(19)22-3)16-8-9(6-13(16)17)14(18)21-2/h4-5,7,9H,6,8H2,1-3H3
InChIKeyJARUFKSKUCKCNO-UHFFFAOYSA-N
XLogP1.01
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl 4-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-2-methoxybenzoate
CID 168666715
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3-bromo-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690766
2-chloro-5-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168694649
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968
methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 58828883
(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961
1-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 54964606

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 168693335) is methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)c1ccc(N2CC(C(=O)OC)CC2=O)cc1OC.
What is the InChIKey of methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JARUFKSKUCKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-20-12-7-10(4-5-11(12)15(19)22-3)16-8-9(6-13(16)17)14(18)21-2/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 307.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).