2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid

C13H17NO3 — CID 82476162

IUPAC2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)c(C)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C13H17NO3/c1-7-5-8(2)10(4)12(9(7)3)13(17)14-6-11(15)16/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyBUUVVFUANAKPKN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.73
Rot. Bonds3

About 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid

2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid (PubChem CID 82476162) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
PubChem CID82476162
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
SMILESCc1cc(C)c(C)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C13H17NO3/c1-7-5-8(2)10(4)12(9(7)3)13(17)14-6-11(15)16/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyBUUVVFUANAKPKN-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
CID 26437134
N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
CID 82471529
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387599
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
2-[(2,3,5,6-tetramethylphenyl)methylamino]acetic acid
CID 82494307
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
2-[(3,5-dimethyl-4-nitrobenzoyl)amino]acetic acid
CID 23740155
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
2,3,4,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 123912379
2-acetamidoacetic acid;1,2,3-trimethylbenzene
CID 67885063
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid (CID 82476162) is 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid is Cc1cc(C)c(C)c(C(=O)NCC(=O)O)c1C.
What is the InChIKey of 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid?
The InChIKey is BUUVVFUANAKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-7-5-8(2)10(4)12(9(7)3)13(17)14-6-11(15)16/h5H,6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid?
2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.73, 3 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-tetramethylbenzoyl)amino]acetic acid is sourced from PubChem (CID 82476162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).