2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid

C14H19NO4 — CID 107151224

IUPAC2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
SMILESCC(C)CC(O)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)7-10(16)8-15-13(17)11-5-3-4-6-12(11)14(18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFGXXCMDGUNTJEX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid

2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid (PubChem CID 107151224) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
PubChem CID107151224
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
SMILESCC(C)CC(O)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)7-10(16)8-15-13(17)11-5-3-4-6-12(11)14(18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFGXXCMDGUNTJEX-UHFFFAOYSA-N
XLogP1.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
CID 102903651
N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103771486
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
CID 151828721
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
2-(1,3-dihydroxy-5-methylhexyl)benzoic acid
CID 175478283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid (CID 107151224) is 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid is CC(C)CC(O)CNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid?
The InChIKey is FGXXCMDGUNTJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)7-10(16)8-15-13(17)11-5-3-4-6-12(11)14(18)19/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid?
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid is sourced from PubChem (CID 107151224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).