2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid

C13H19NO2 — CID 82494307

IUPAC2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
SMILESCc1cc(C)c(C)c(CNCC(=O)O)c1C
InChIInChI=1S/C13H19NO2/c1-8-5-9(2)11(4)12(10(8)3)6-14-7-13(15)16/h5,14H,6-7H2,1-4H3,(H,15,16)
InChIKeyLEJPOJRLOPUBEW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.09
Rot. Bonds4

About 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid

2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid (PubChem CID 82494307) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
PubChem CID82494307
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
SMILESCc1cc(C)c(C)c(CNCC(=O)O)c1C
InChIInChI=1S/C13H19NO2/c1-8-5-9(2)11(4)12(10(8)3)6-14-7-13(15)16/h5,14H,6-7H2,1-4H3,(H,15,16)
InChIKeyLEJPOJRLOPUBEW-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
N-[(2,3,5,6-tetramethylphenyl)methyl]carbamoyl bromide
CID 115193571
2-[(2,6-dimethoxy-4-methylphenyl)methylamino]acetic acid;ethane
CID 145435875
2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
2-methyl-3-oxo-3-[(2,3,5,6-tetramethylphenyl)methylamino]propanoic acid
CID 115164265
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
2-(propan-2-ylamino)-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115158228
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
2-[(2,3,4,5,6-pentafluorophenyl)methylamino]acetic acid
CID 43466118
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
1-(hydroxymethyl)-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182238

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid (CID 82494307) is 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid is Cc1cc(C)c(C)c(CNCC(=O)O)c1C.
What is the InChIKey of 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid?
The InChIKey is LEJPOJRLOPUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-9(2)11(4)12(10(8)3)6-14-7-13(15)16/h5,14H,6-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid?
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid is sourced from PubChem (CID 82494307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).