methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

C14H17NO4 — CID 168693752

IUPACmethyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(OC)ccc2C)C1
InChIInChI=1S/C14H17NO4/c1-9-4-5-11(18-2)7-12(9)15-8-10(6-13(15)16)14(17)19-3/h4-5,7,10H,6,8H2,1-3H3
InChIKeyHRJVBMDNSQNTFR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.53
Rot. Bonds3

About methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693752) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693752
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(OC)ccc2C)C1
InChIInChI=1S/C14H17NO4/c1-9-4-5-11(18-2)7-12(9)15-8-10(6-13(15)16)14(17)19-3/h4-5,7,10H,6,8H2,1-3H3
InChIKeyHRJVBMDNSQNTFR-UHFFFAOYSA-N
XLogP1.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693437
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 168507830
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(5-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693461
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467
2-bromo-5-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168693609

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 168693752) is methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cc(OC)ccc2C)C1.
What is the InChIKey of methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HRJVBMDNSQNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-4-5-11(18-2)7-12(9)15-8-10(6-13(15)16)14(17)19-3/h4-5,7,10H,6,8H2,1-3H3.
What are the key properties of methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).