3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid

C15H21NO5 — CID 119249413

IUPAC3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCOCCOc1cccc(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,14(18)19)10-16-13(17)11-5-4-6-12(9-11)21-8-7-20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRGKGNYGHNIMFJA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds8

About 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid

3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249413) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249413
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCOCCOc1cccc(C(=O)NCC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,14(18)19)10-16-13(17)11-5-4-6-12(9-11)21-8-7-20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRGKGNYGHNIMFJA-UHFFFAOYSA-N
XLogP1.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
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

N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[(3-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368761
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-[(3-acetamidobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367751
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid (CID 119249413) is 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid is COCCOc1cccc(C(=O)NCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is RGKGNYGHNIMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,14(18)19)10-16-13(17)11-5-4-6-12(9-11)21-8-7-20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).