3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid

C13H19NO3 — CID 102905114

IUPAC3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
SMILESCOCCc1ccccc1NCC(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10(13(15)16)9-14-12-6-4-3-5-11(12)7-8-17-2/h3-6,10,14H,7-9H2,1-2H3,(H,15,16)
InChIKeySPELCKOKAUSJNC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds7

About 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid

3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid (PubChem CID 102905114) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
PubChem CID102905114
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
SMILESCOCCc1ccccc1NCC(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-10(13(15)16)9-14-12-6-4-3-5-11(12)7-8-17-2/h3-6,10,14H,7-9H2,1-2H3,(H,15,16)
InChIKeySPELCKOKAUSJNC-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
(E)-4-[2-(2-methoxyethyl)anilino]-3-methylbut-2-enoic acid
CID 103268799
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid (CID 102905114) is 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid is COCCc1ccccc1NCC(C)C(=O)O.
What is the InChIKey of 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The InChIKey is SPELCKOKAUSJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(13(15)16)9-14-12-6-4-3-5-11(12)7-8-17-2/h3-6,10,14H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 102905114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).