2-hydroxy-4-(propylcarbamoyl)benzoic acid

C11H13NO4 — CID 162361701

IUPAC2-hydroxy-4-(propylcarbamoyl)benzoic acid
SMILESCCCNC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H13NO4/c1-2-5-12-10(14)7-3-4-8(11(15)16)9(13)6-7/h3-4,6,13H,2,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZCGHGYIORSSQNT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.23
Rot. Bonds4

About 2-hydroxy-4-(propylcarbamoyl)benzoic acid

2-hydroxy-4-(propylcarbamoyl)benzoic acid (PubChem CID 162361701) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-hydroxy-4-(propylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(propylcarbamoyl)benzoic acid
PubChem CID162361701
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-hydroxy-4-(propylcarbamoyl)benzoic acid
SMILESCCCNC(=O)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H13NO4/c1-2-5-12-10(14)7-3-4-8(11(15)16)9(13)6-7/h3-4,6,13H,2,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZCGHGYIORSSQNT-UHFFFAOYSA-N
XLogP1.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
methyl 4-(butylcarbamoyl)-2-hydroxybenzoate
CID 166398992
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
N-propylnaphthalene-2-carboxamide
CID 6624536
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
4-[3-carboxy-4-(propylcarbamoyl)benzoyl]-2-formylbenzoic acid
CID 89333002

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(propylcarbamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(propylcarbamoyl)benzoic acid (CID 162361701) is 2-hydroxy-4-(propylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(propylcarbamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(propylcarbamoyl)benzoic acid is CCCNC(=O)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(propylcarbamoyl)benzoic acid?
The InChIKey is ZCGHGYIORSSQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-5-12-10(14)7-3-4-8(11(15)16)9(13)6-7/h3-4,6,13H,2,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-hydroxy-4-(propylcarbamoyl)benzoic acid?
2-hydroxy-4-(propylcarbamoyl)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(propylcarbamoyl)benzoic acid is sourced from PubChem (CID 162361701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).