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

C13H19NO4 — CID 102905071

IUPAC2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
SMILESCOCCc1ccccc1NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19NO4/c1-13(17,12(15)16)9-14-11-6-4-3-5-10(11)7-8-18-2/h3-6,14,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyFPTPMKYXWUOFOP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.12
Rot. Bonds7

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

2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid (PubChem CID 102905071) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
PubChem CID102905071
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
SMILESCOCCc1ccccc1NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19NO4/c1-13(17,12(15)16)9-14-11-6-4-3-5-10(11)7-8-18-2/h3-6,14,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyFPTPMKYXWUOFOP-UHFFFAOYSA-N
XLogP1.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
(E)-4-[2-(2-methoxyethyl)anilino]-3-methylbut-2-enoic acid
CID 103268799
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544
N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid (CID 102905071) is 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid is COCCc1ccccc1NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
The InChIKey is FPTPMKYXWUOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(17,12(15)16)9-14-11-6-4-3-5-10(11)7-8-18-2/h3-6,14,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid?
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 102905071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).