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

C12H17NO4 — CID 104644204

IUPAC2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
SMILESCOCc1cccc(NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-12(16,11(14)15)8-13-10-5-3-4-9(6-10)7-17-2/h3-6,13,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyVCCRITLBQFVYCE-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.08
Rot. Bonds6

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

2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid (PubChem CID 104644204) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
PubChem CID104644204
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
SMILESCOCc1cccc(NCC(C)(O)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-12(16,11(14)15)8-13-10-5-3-4-9(6-10)7-17-2/h3-6,13,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyVCCRITLBQFVYCE-UHFFFAOYSA-N
XLogP1.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(3-ethynylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643569
3-(methoxymethyl)-N-(4,4,4-trifluorobutyl)aniline
CID 113326329
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
methyl 2-bromo-3-[3-(methoxymethyl)anilino]propanoate
CID 103245977
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-fluoro-4-[[3-(methoxymethyl)anilino]methyl]benzoic acid
CID 106699900
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid (CID 104644204) is 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid is COCc1cccc(NCC(C)(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The InChIKey is VCCRITLBQFVYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(16,11(14)15)8-13-10-5-3-4-9(6-10)7-17-2/h3-6,13,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 104644204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).