2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

C16H21N3O5 — CID 119348024

IUPAC2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cccc(N2CCNC2=O)c1C
InChIInChI=1S/C16H21N3O5/c1-11-12(15(22)18(8-9-24-2)10-14(20)21)4-3-5-13(11)19-7-6-17-16(19)23/h3-5H,6-10H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyMETBQJRUOKOBTO-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.70
Rot. Bonds7

About 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119348024) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119348024
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cccc(N2CCNC2=O)c1C
InChIInChI=1S/C16H21N3O5/c1-11-12(15(22)18(8-9-24-2)10-14(20)21)4-3-5-13(11)19-7-6-17-16(19)23/h3-5H,6-10H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyMETBQJRUOKOBTO-UHFFFAOYSA-N
XLogP0.70
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 102559811
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
1-[3-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 154749269
1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
CID 86861225
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
2-hydroxy-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 60653742
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 119348024) is 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cccc(N2CCNC2=O)c1C.
What is the InChIKey of 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is METBQJRUOKOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-11-12(15(22)18(8-9-24-2)10-14(20)21)4-3-5-13(11)19-7-6-17-16(19)23/h3-5H,6-10H2,1-2H3,(H,17,23)(H,20,21).
What are the key properties of 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119348024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).