1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H15NO4 — CID 113311867

IUPAC1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C(=O)NCC2(C(=O)O)CC2)c(O)c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-9(10(15)6-8)11(16)14-7-13(4-5-13)12(17)18/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyCNNONVZTKOIARQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.30
Rot. Bonds4

About 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113311867) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113311867
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C(=O)NCC2(C(=O)O)CC2)c(O)c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-9(10(15)6-8)11(16)14-7-13(4-5-13)12(17)18/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyCNNONVZTKOIARQ-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197
4-[[(2-fluoro-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438527
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
4-[[(4-methyl-2-phenylsulfanylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 120542234
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
CID 43465546
1-[[(4-amino-2-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107794783
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113311867) is 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1ccc(C(=O)NCC2(C(=O)O)CC2)c(O)c1.
What is the InChIKey of 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CNNONVZTKOIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-2-3-9(10(15)6-8)11(16)14-7-13(4-5-13)12(17)18/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113311867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).