lithium 4-[(4-hydroxybenzoyl)amino]butanoate

C11H12LiNO4 — CID 142769153

IUPAClithium 4-[(4-hydroxybenzoyl)amino]butanoate
SMILESO=C([O-])CCCNC(=O)c1ccc(O)cc1.[Li+]
InChIInChI=1S/C11H13NO4.Li/c13-9-5-3-8(4-6-9)11(16)12-7-1-2-10(14)15;/h3-6,13H,1-2,7H2,(H,12,16)(H,14,15);/q;+1/p-1
InChIKeyYODJCHBVXPOAIC-UHFFFAOYSA-M
MW229.16 g/mol
LogP-3.34
Rot. Bonds5

About lithium 4-[(4-hydroxybenzoyl)amino]butanoate

lithium 4-[(4-hydroxybenzoyl)amino]butanoate (PubChem CID 142769153) has the molecular formula C11H12LiNO4 and a molecular weight of 229.16 g/mol. Its IUPAC name is lithium 4-[(4-hydroxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namelithium 4-[(4-hydroxybenzoyl)amino]butanoate
PubChem CID142769153
Molecular FormulaC11H12LiNO4
Molecular Weight229.16 g/mol
Exact Mass229.09
IUPAC Namelithium 4-[(4-hydroxybenzoyl)amino]butanoate
SMILESO=C([O-])CCCNC(=O)c1ccc(O)cc1.[Li+]
InChIInChI=1S/C11H13NO4.Li/c13-9-5-3-8(4-6-9)11(16)12-7-1-2-10(14)15;/h3-6,13H,1-2,7H2,(H,12,16)(H,14,15);/q;+1/p-1
InChIKeyYODJCHBVXPOAIC-UHFFFAOYSA-M
XLogP-3.34
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 5-3.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate
CID 175439207
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-decyl-4-hydroxybenzamide
CID 15277871
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
4-hydroxy-N-(2-sulfamoylethyl)benzamide
CID 43552549
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665

Frequently Asked Questions

What is the IUPAC name of lithium 4-[(4-hydroxybenzoyl)amino]butanoate?
The IUPAC name of lithium 4-[(4-hydroxybenzoyl)amino]butanoate (CID 142769153) is lithium 4-[(4-hydroxybenzoyl)amino]butanoate.
What is the SMILES notation for lithium 4-[(4-hydroxybenzoyl)amino]butanoate?
The canonical SMILES for lithium 4-[(4-hydroxybenzoyl)amino]butanoate is O=C([O-])CCCNC(=O)c1ccc(O)cc1.[Li+].
What is the InChIKey of lithium 4-[(4-hydroxybenzoyl)amino]butanoate?
The InChIKey is YODJCHBVXPOAIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO4.Li/c13-9-5-3-8(4-6-9)11(16)12-7-1-2-10(14)15;/h3-6,13H,1-2,7H2,(H,12,16)(H,14,15);/q;+1/p-1.
What are the key properties of lithium 4-[(4-hydroxybenzoyl)amino]butanoate?
lithium 4-[(4-hydroxybenzoyl)amino]butanoate has a molecular weight of 229.16 g/mol, XLogP of -3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[(4-hydroxybenzoyl)amino]butanoate is sourced from PubChem (CID 142769153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).