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

C16H19N3O6 — CID 120532670

IUPAC3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1N1CCNC1=O
InChIInChI=1S/C16H19N3O6/c1-24-12-3-2-10(8-11(12)19-6-5-17-15(19)23)13(20)18-16(14(21)22)4-7-25-9-16/h2-3,8H,4-7,9H2,1H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyVROXCSWELDXRNT-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.20
Rot. Bonds5

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

3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid (PubChem CID 120532670) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
PubChem CID120532670
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1N1CCNC1=O
InChIInChI=1S/C16H19N3O6/c1-24-12-3-2-10(8-11(12)19-6-5-17-15(19)23)13(20)18-16(14(21)22)4-7-25-9-16/h2-3,8H,4-7,9H2,1H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyVROXCSWELDXRNT-UHFFFAOYSA-N
XLogP0.20
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid (CID 120532670) is 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)CCOC2)cc1N1CCNC1=O.
What is the InChIKey of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is VROXCSWELDXRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-24-12-3-2-10(8-11(12)19-6-5-17-15(19)23)13(20)18-16(14(21)22)4-7-25-9-16/h2-3,8H,4-7,9H2,1H3,(H,17,23)(H,18,20)(H,21,22).
What are the key properties of 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid?
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).