7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid

C15H26N2O4S — CID 119227531

IUPAC7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
SMILESCCCC(=O)N1CSCC1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H26N2O4S/c1-2-7-13(18)17-11-22-10-12(17)15(21)16-9-6-4-3-5-8-14(19)20/h12H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyGSLLEQICQRTLBD-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.84
Rot. Bonds10

About 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid

7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid (PubChem CID 119227531) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
PubChem CID119227531
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
SMILESCCCC(=O)N1CSCC1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H26N2O4S/c1-2-7-13(18)17-11-22-10-12(17)15(21)16-9-6-4-3-5-8-14(19)20/h12H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyGSLLEQICQRTLBD-UHFFFAOYSA-N
XLogP1.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.84
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

(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143319
(2S)-2-[[2-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694464
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119536892
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 54523220
(2R,4S)-N-dodecyl-4-hydroxy-1-tetradecanoylpyrrolidine-2-carboxamide
CID 11591557
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222924
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 42744735

Frequently Asked Questions

What is the IUPAC name of 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid (CID 119227531) is 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid is CCCC(=O)N1CSCC1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid?
The InChIKey is GSLLEQICQRTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-2-7-13(18)17-11-22-10-12(17)15(21)16-9-6-4-3-5-8-14(19)20/h12H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid?
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid has a molecular weight of 330.45 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119227531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).