3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid

C17H21N3O5S — CID 119222924

IUPAC3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C17H21N3O5S/c1-2-14(21)20-10-26-9-13(20)17(25)19-12-5-3-11(4-6-12)16(24)18-8-7-15(22)23/h3-6,13H,2,7-10H2,1H3,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUPFRZEIKSKAPCR-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.14
Rot. Bonds7

About 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid

3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid (PubChem CID 119222924) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
PubChem CID119222924
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C17H21N3O5S/c1-2-14(21)20-10-26-9-13(20)17(25)19-12-5-3-11(4-6-12)16(24)18-8-7-15(22)23/h3-6,13H,2,7-10H2,1H3,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUPFRZEIKSKAPCR-UHFFFAOYSA-N
XLogP1.14
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-N-(4-fluorophenyl)-3-[2-(2-methoxyethoxy)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95233038
2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255611
3-[2-[(4-methylbenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359216
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769
3-[[4-[2-(cyclopentylmethyl)butanoylamino]benzoyl]amino]propanoic acid
CID 119222956
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid (CID 119222924) is 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid is CCC(=O)N1CSCC1C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid?
The InChIKey is UPFRZEIKSKAPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-2-14(21)20-10-26-9-13(20)17(25)19-12-5-3-11(4-6-12)16(24)18-8-7-15(22)23/h3-6,13H,2,7-10H2,1H3,(H,18,24)(H,19,25)(H,22,23).
What are the key properties of 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid?
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid has a molecular weight of 379.44 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119222924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).