2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid

C12H15NO5 — CID 66172396

IUPAC2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCc1cccc(C(=O)NCC(C)(O)C(=O)O)c1O
InChIInChI=1S/C12H15NO5/c1-7-4-3-5-8(9(7)14)10(15)13-6-12(2,18)11(16)17/h3-5,14,18H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDVPPNJCGJQGSQE-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.27
Rot. Bonds4

About 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 66172396) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID66172396
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCc1cccc(C(=O)NCC(C)(O)C(=O)O)c1O
InChIInChI=1S/C12H15NO5/c1-7-4-3-5-8(9(7)14)10(15)13-6-12(2,18)11(16)17/h3-5,14,18H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDVPPNJCGJQGSQE-UHFFFAOYSA-N
XLogP0.27
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
2-hydroxy-2-methyl-3-[(2-phenylsulfanylbenzoyl)amino]propanoic acid
CID 154862376
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid (CID 66172396) is 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid is Cc1cccc(C(=O)NCC(C)(O)C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is DVPPNJCGJQGSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-4-3-5-8(9(7)14)10(15)13-6-12(2,18)11(16)17/h3-5,14,18H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66172396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).