methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate

C14H16N2O5 — CID 78982577

IUPACmethyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C14H16N2O5/c1-20-13(18)8-21-11-4-2-3-10(6-11)16-14(19)9-5-12(17)15-7-9/h2-4,6,9H,5,7-8H2,1H3,(H,15,17)(H,16,19)
InChIKeyZKVDCMJLTPOTRK-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.31
Rot. Bonds5

About methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate

methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate (PubChem CID 78982577) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
PubChem CID78982577
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C14H16N2O5/c1-20-13(18)8-21-11-4-2-3-10(6-11)16-14(19)9-5-12(17)15-7-9/h2-4,6,9H,5,7-8H2,1H3,(H,15,17)(H,16,19)
InChIKeyZKVDCMJLTPOTRK-UHFFFAOYSA-N
XLogP0.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
CID 112728765
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982581
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate (CID 78982577) is methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)C2CNC(=O)C2)c1.
What is the InChIKey of methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate?
The InChIKey is ZKVDCMJLTPOTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-20-13(18)8-21-11-4-2-3-10(6-11)16-14(19)9-5-12(17)15-7-9/h2-4,6,9H,5,7-8H2,1H3,(H,15,17)(H,16,19).
What are the key properties of methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate?
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate has a molecular weight of 292.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 78982577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).