4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid

C19H24N2O5 — CID 120542790

IUPAC4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C19H24N2O5/c1-21(17(23)13-6-7-13)15-5-3-2-4-14(15)16(22)20-12-19(18(24)25)8-10-26-11-9-19/h2-5,13H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyYLJSISGEHACSGF-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.67
Rot. Bonds6

About 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542790) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120542790
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C19H24N2O5/c1-21(17(23)13-6-7-13)15-5-3-2-4-14(15)16(22)20-12-19(18(24)25)8-10-26-11-9-19/h2-5,13H,6-12H2,1H3,(H,20,22)(H,24,25)
InChIKeyYLJSISGEHACSGF-UHFFFAOYSA-N
XLogP1.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[[methyl(phenyl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440277
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709
4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541744
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
1-[[(2-chlorobenzoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440820
4-[[(2-bromo-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438483
4-[[(2-methyl-1,3-benzothiazole-7-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 166295834
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid (CID 120542790) is 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid is CN(C(=O)C1CC1)c1ccccc1C(=O)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is YLJSISGEHACSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-21(17(23)13-6-7-13)15-5-3-2-4-14(15)16(22)20-12-19(18(24)25)8-10-26-11-9-19/h2-5,13H,6-12H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).