2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid

C12H15NO5 — CID 26437134

IUPAC2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
SMILESCc1c(C)c(C(=O)NCC(=O)O)c(O)c(C)c1O
InChIInChI=1S/C12H15NO5/c1-5-6(2)10(16)7(3)11(17)9(5)12(18)13-4-8(14)15/h16-17H,4H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyULJYLPXPUBHEKO-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.84
Rot. Bonds3

About 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid

2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid (PubChem CID 26437134) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
PubChem CID26437134
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
SMILESCc1c(C)c(C(=O)NCC(=O)O)c(O)c(C)c1O
InChIInChI=1S/C12H15NO5/c1-5-6(2)10(16)7(3)11(17)9(5)12(18)13-4-8(14)15/h16-17H,4H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyULJYLPXPUBHEKO-UHFFFAOYSA-N
XLogP0.84
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3,5,6-tetramethylbenzoyl)amino]acetic acid
CID 82476162
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
CID 110835945
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387599
2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
CID 24756722
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
2-[[4-hydroxy-8-(4-methylphenyl)-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734827
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid
CID 130337763
2-[(6-benzyl-4-hydroxy-1,5,7-trimethyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid
CID 54738393
2-[[4-hydroxy-7-(4-methylphenyl)-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734814
2-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid
CID 10268050
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid (CID 26437134) is 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid is Cc1c(C)c(C(=O)NCC(=O)O)c(O)c(C)c1O.
What is the InChIKey of 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid?
The InChIKey is ULJYLPXPUBHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-5-6(2)10(16)7(3)11(17)9(5)12(18)13-4-8(14)15/h16-17H,4H2,1-3H3,(H,13,18)(H,14,15).
What are the key properties of 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid?
2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid is sourced from PubChem (CID 26437134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).