2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

C13H15N3O5 — CID 119350135

IUPAC2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-10-3-2-8(12(19)15-7-11(17)18)6-9(10)16-5-4-14-13(16)20/h2-3,6H,4-5,7H2,1H3,(H,14,20)(H,15,19)(H,17,18)
InChIKeyFKQOPUDJZUWTMN-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.04
Rot. Bonds5

About 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119350135) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID119350135
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)O)cc1N1CCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-10-3-2-8(12(19)15-7-11(17)18)6-9(10)16-5-4-14-13(16)20/h2-3,6H,4-5,7H2,1H3,(H,14,20)(H,15,19)(H,17,18)
InChIKeyFKQOPUDJZUWTMN-UHFFFAOYSA-N
XLogP0.04
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
CID 120532670
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 154740646

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 119350135) is 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is COc1ccc(C(=O)NCC(=O)O)cc1N1CCNC1=O.
What is the InChIKey of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is FKQOPUDJZUWTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-21-10-3-2-8(12(19)15-7-11(17)18)6-9(10)16-5-4-14-13(16)20/h2-3,6H,4-5,7H2,1H3,(H,14,20)(H,15,19)(H,17,18).
What are the key properties of 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 293.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119350135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).