5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid

C22H25NO4 — CID 58693694

IUPAC5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)CCC2CCCC2)ccc1O
InChIInChI=1S/C22H25NO4/c24-20-12-11-18(14-19(20)22(26)27)23(15-17-8-2-1-3-9-17)21(25)13-10-16-6-4-5-7-16/h1-3,8-9,11-12,14,16,24H,4-7,10,13,15H2,(H,26,27)
InChIKeyNTYLVJWGQFWAOM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.59
Rot. Bonds7

About 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid

5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid (PubChem CID 58693694) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
PubChem CID58693694
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2)C(=O)CCC2CCCC2)ccc1O
InChIInChI=1S/C22H25NO4/c24-20-12-11-18(14-19(20)22(26)27)23(15-17-8-2-1-3-9-17)21(25)13-10-16-6-4-5-7-16/h1-3,8-9,11-12,14,16,24H,4-7,10,13,15H2,(H,26,27)
InChIKeyNTYLVJWGQFWAOM-UHFFFAOYSA-N
XLogP4.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-cyclopentylpropanoyl-(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)amino]methyl]benzoic acid
CID 58693688
5-[[[4-(4-butylphenyl)phenyl]methyl-(3-cyclopentylpropanoyl)amino]methyl]-2-hydroxybenzoic acid
CID 70973667
5-[benzyl-(4-phenoxybenzoyl)amino]-2-hydroxybenzoic acid
CID 74221821
[5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(3-cyclopentylpropanoyl)amino]-2-hydroxyphenyl]-hydroxymethanolate
CID 142994788
4-[3-cyclopentylpropanoyl-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methyl]amino]-2-hydroxybenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 11377463
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
methyl 5-[benzyl-[2-(methylamino)acetyl]amino]-2-hydroxybenzoate
CID 90148130
N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide
CID 110703786
N-benzyl-N-(2-hydroxyethyl)-3-(oxan-3-yl)propanamide
CID 111696306
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(7-carboxyheptanoyl)amino]-2-hydroxybenzoic acid
CID 11341912

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid (CID 58693694) is 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(N(Cc2ccccc2)C(=O)CCC2CCCC2)ccc1O.
What is the InChIKey of 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is NTYLVJWGQFWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-20-12-11-18(14-19(20)22(26)27)23(15-17-8-2-1-3-9-17)21(25)13-10-16-6-4-5-7-16/h1-3,8-9,11-12,14,16,24H,4-7,10,13,15H2,(H,26,27).
What are the key properties of 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid?
5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 367.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(3-cyclopentylpropanoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 58693694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).