2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

C10H16N2O4S — CID 119225257

IUPAC2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-3-8(13)12-5-17-4-7(12)9(14)11-6(2)10(15)16/h6-7H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyWFMLEBJZZBCLQR-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.11
Rot. Bonds4

About 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (PubChem CID 119225257) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
PubChem CID119225257
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-3-8(13)12-5-17-4-7(12)9(14)11-6(2)10(15)16/h6-7H,3-5H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyWFMLEBJZZBCLQR-UHFFFAOYSA-N
XLogP-0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 119359474
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119187544
N-[2-(methylamino)propyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120832672
2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120547503
2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120543427
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 102555877
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119456046
(2S)-2-[[2-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694464

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (CID 119225257) is 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is CCC(=O)N1CSCC1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The InChIKey is WFMLEBJZZBCLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-3-8(13)12-5-17-4-7(12)9(14)11-6(2)10(15)16/h6-7H,3-5H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid has a molecular weight of 260.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119225257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).