2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid

C14H19NO5 — CID 75383535

IUPAC2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1ccc(C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18)15-12(16)10-4-6-11(7-5-10)20-9-8-19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQCNMTQNUHUNLLZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds7

About 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid

2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 75383535) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
PubChem CID75383535
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1ccc(C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18)15-12(16)10-4-6-11(7-5-10)20-9-8-19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyQCNMTQNUHUNLLZ-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119187579
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
2-[(4-acetyloxybenzoyl)amino]-2-methylpropanoic acid
CID 11623115
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-butoxy-N-tert-butylbenzamide
CID 60643031
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid (CID 75383535) is 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid is COCCOc1ccc(C(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is QCNMTQNUHUNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,13(17)18)15-12(16)10-4-6-11(7-5-10)20-9-8-19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid?
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 75383535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).