2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

C17H22N2O5 — CID 119189237

IUPAC2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C17H22N2O5/c1-11-9-14(11)16(22)18-13-5-3-12(4-6-13)17(23)19(7-8-24-2)10-15(20)21/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJKWMPUJNDNCMGM-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.45
Rot. Bonds8

About 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 119189237) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
PubChem CID119189237
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C17H22N2O5/c1-11-9-14(11)16(22)18-13-5-3-12(4-6-13)17(23)19(7-8-24-2)10-15(20)21/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJKWMPUJNDNCMGM-UHFFFAOYSA-N
XLogP1.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 120702208
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974818
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (CID 119189237) is 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is JKWMPUJNDNCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-9-14(11)16(22)18-13-5-3-12(4-6-13)17(23)19(7-8-24-2)10-15(20)21/h3-6,11,14H,7-10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).