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

C12H15NO5 — CID 106107196

IUPAC3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cccc(C)c1O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-7-4-3-5-8(10(7)14)11(15)13-6-9(18-2)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXQMAOHLMGLWERJ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.53
Rot. Bonds5

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

3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106107196) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106107196
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cccc(C)c1O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-7-4-3-5-8(10(7)14)11(15)13-6-9(18-2)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXQMAOHLMGLWERJ-UHFFFAOYSA-N
XLogP0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
3-[(2-bromo-5-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144195
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]-2-methoxypropanoic acid
CID 122108829
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid (CID 106107196) is 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1cccc(C)c1O)C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is XQMAOHLMGLWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-4-3-5-8(10(7)14)11(15)13-6-9(18-2)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid?
3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).