2-(methylamino)acetic acid;2-methylphenol

C10H15NO3 — CID 67651337

IUPAC2-(methylamino)acetic acid;2-methylphenol
SMILESCNCC(=O)O.Cc1ccccc1O
InChIInChI=1S/C7H8O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-4-2-3(5)6/h2-5,8H,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyUNSLTNDFKHRGJV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.99
Rot. Bonds2

About 2-(methylamino)acetic acid;2-methylphenol

2-(methylamino)acetic acid;2-methylphenol (PubChem CID 67651337) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(methylamino)acetic acid;2-methylphenol.

Molecular Properties

Compound Name2-(methylamino)acetic acid;2-methylphenol
PubChem CID67651337
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(methylamino)acetic acid;2-methylphenol
SMILESCNCC(=O)O.Cc1ccccc1O
InChIInChI=1S/C7H8O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-4-2-3(5)6/h2-5,8H,1H3;4H,2H2,1H3,(H,5,6)
InChIKeyUNSLTNDFKHRGJV-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzoic acid;2-methylphenol
CID 163780186
zinc 2-methylphenol
CID 10374903
ethane;2-methylphenol
CID 54326461
hydrazine;2-methylphenol
CID 174667823
tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
methanamine;2-methylphenol
CID 19359053
2-[2-[carboxymethyl-[[2-(hydroxymethyl)phenyl]methyl]amino]ethylamino]acetic acid;2-methylphenol
CID 143231603
ethanol;bis(2-methylphenol);titanium
CID 22238726
2-methylphenol;2H-triazole
CID 161448699
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
cyclohexane;2-methylphenol
CID 70504255

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetic acid;2-methylphenol?
The IUPAC name of 2-(methylamino)acetic acid;2-methylphenol (CID 67651337) is 2-(methylamino)acetic acid;2-methylphenol.
What is the SMILES notation for 2-(methylamino)acetic acid;2-methylphenol?
The canonical SMILES for 2-(methylamino)acetic acid;2-methylphenol is CNCC(=O)O.Cc1ccccc1O.
What is the InChIKey of 2-(methylamino)acetic acid;2-methylphenol?
The InChIKey is UNSLTNDFKHRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H7NO2/c1-6-4-2-3-5-7(6)8;1-4-2-3(5)6/h2-5,8H,1H3;4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylamino)acetic acid;2-methylphenol?
2-(methylamino)acetic acid;2-methylphenol has a molecular weight of 197.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetic acid;2-methylphenol is sourced from PubChem (CID 67651337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).