2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid

C17H22N2O5 — CID 119205358

IUPAC2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-3-8-18(11-16(21)22)17(23)12-9-15(20)19(10-12)13-4-6-14(24-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyIBNAEWGLNCUMSL-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.37
Rot. Bonds7

About 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid (PubChem CID 119205358) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
PubChem CID119205358
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-3-8-18(11-16(21)22)17(23)12-9-15(20)19(10-12)13-4-6-14(24-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyIBNAEWGLNCUMSL-UHFFFAOYSA-N
XLogP1.37
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
CID 119191735

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid (CID 119205358) is 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid?
The InChIKey is IBNAEWGLNCUMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-8-18(11-16(21)22)17(23)12-9-15(20)19(10-12)13-4-6-14(24-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid?
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).