(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid

C9H16N2O5S — CID 119244358

IUPAC(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-7(9(13)14)10-8(12)3-5-11-4-2-6-17(11,15)16/h7H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyCQGJIEPIYFNQCI-SSDOTTSWSA-N
MW264.30 g/mol
LogP-1.00
Rot. Bonds5

About (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid

(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid (PubChem CID 119244358) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
PubChem CID119244358
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-7(9(13)14)10-8(12)3-5-11-4-2-6-17(11,15)16/h7H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyCQGJIEPIYFNQCI-SSDOTTSWSA-N
XLogP-1.00
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-methylpropanoic acid
CID 119237341
N-butan-2-yl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687817
(2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-phenylacetic acid
CID 119372514
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548156
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 119348327
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838175
5-(1,1-dioxo-1,2-thiazolidin-2-yl)pentan-1-ol
CID 62228047
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid (CID 119244358) is (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid is C[C@@H](NC(=O)CCN1CCCS1(=O)=O)C(=O)O.
What is the InChIKey of (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid?
The InChIKey is CQGJIEPIYFNQCI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-7(9(13)14)10-8(12)3-5-11-4-2-6-17(11,15)16/h7H,2-6H2,1H3,(H,10,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid?
(2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid has a molecular weight of 264.30 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 119244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).