2-methylimino-2-(2-methylphenyl)acetic acid

C10H11NO2 — CID 148616143

IUPAC2-methylimino-2-(2-methylphenyl)acetic acid
SMILESC/N=C(\C(=O)O)c1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-8(7)9(11-2)10(12)13/h3-6H,1-2H3,(H,12,13)/b11-9-
InChIKeyNFIMCJJAXUGTIP-LUAWRHEFSA-N
MW177.20 g/mol
LogP1.50
Rot. Bonds2

About 2-methylimino-2-(2-methylphenyl)acetic acid

2-methylimino-2-(2-methylphenyl)acetic acid (PubChem CID 148616143) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methylimino-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-methylimino-2-(2-methylphenyl)acetic acid
PubChem CID148616143
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methylimino-2-(2-methylphenyl)acetic acid
SMILESC/N=C(\C(=O)O)c1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-8(7)9(11-2)10(12)13/h3-6H,1-2H3,(H,12,13)/b11-9-
InChIKeyNFIMCJJAXUGTIP-LUAWRHEFSA-N
XLogP1.50
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methylimino-1-(2-methylphenyl)propan-2-one
CID 142187887
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
(E)-3-(2-methylphenyl)-2-oxopent-3-enoic acid
CID 143135216
ethane;1-(2-methylphenyl)ethanone
CID 91374073
3-methyl-2-methylimino-1-(2-methylphenyl)but-3-en-1-one
CID 155106801
[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone
CID 150785271
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
tris(2-methylbenzoyl)sulfanium
CID 142714960
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-methylimino-2-(2-methylphenyl)acetic acid (CID 148616143) is 2-methylimino-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-methylimino-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-methylimino-2-(2-methylphenyl)acetic acid is C/N=C(\C(=O)O)c1ccccc1C.
What is the InChIKey of 2-methylimino-2-(2-methylphenyl)acetic acid?
The InChIKey is NFIMCJJAXUGTIP-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-5-3-4-6-8(7)9(11-2)10(12)13/h3-6H,1-2H3,(H,12,13)/b11-9-.
What are the key properties of 2-methylimino-2-(2-methylphenyl)acetic acid?
2-methylimino-2-(2-methylphenyl)acetic acid has a molecular weight of 177.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 148616143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).