4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid

C18H18N2O5 — CID 23118561

IUPAC4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O5/c21-15-8-2-1-7-14(15)18(25)20-13-6-3-5-12(11-13)17(24)19-10-4-9-16(22)23/h1-3,5-8,11,21H,4,9-10H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyNFVSDDQSOXOEPX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.24
Rot. Bonds7

About 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid

4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid (PubChem CID 23118561) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
PubChem CID23118561
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O5/c21-15-8-2-1-7-14(15)18(25)20-13-6-3-5-12(11-13)17(24)19-10-4-9-16(22)23/h1-3,5-8,11,21H,4,9-10H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyNFVSDDQSOXOEPX-UHFFFAOYSA-N
XLogP2.24
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
5-[[3-(3-aminopropylcarbamoyl)benzoyl]amino]-2-hydroxybenzoic acid;hydrochloride
CID 78333464
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid (CID 23118561) is 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid is O=C(O)CCCNC(=O)c1cccc(NC(=O)c2ccccc2O)c1.
What is the InChIKey of 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is NFVSDDQSOXOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-15-8-2-1-7-14(15)18(25)20-13-6-3-5-12(11-13)17(24)19-10-4-9-16(22)23/h1-3,5-8,11,21H,4,9-10H2,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid?
4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 23118561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).