2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid

C11H15NO3 — CID 104643822

IUPAC2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
SMILESCc1ccccc1NCC(C)(O)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)12-7-11(2,15)10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14)
InChIKeyBSLPNIBCBYMQAF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.24
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid

2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid (PubChem CID 104643822) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
PubChem CID104643822
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
SMILESCc1ccccc1NCC(C)(O)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)12-7-11(2,15)10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14)
InChIKeyBSLPNIBCBYMQAF-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544
3-(2-cyano-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 107799451
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 66174192
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
2-hydroxy-2-methyl-4-(2-methylphenyl)-4-oxobutanoic acid
CID 131852163
3-[[2-(tert-butylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079913
2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid (CID 104643822) is 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid is Cc1ccccc1NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid?
The InChIKey is BSLPNIBCBYMQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-5-3-4-6-9(8)12-7-11(2,15)10(13)14/h3-6,12,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid?
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid is sourced from PubChem (CID 104643822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).