2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid

C6H13N3O2S — CID 67051340

IUPAC2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid
SMILESNC(N)(CC1NCCS1)C(=O)O
InChIInChI=1S/C6H13N3O2S/c7-6(8,5(10)11)3-4-9-1-2-12-4/h4,9H,1-3,7-8H2,(H,10,11)
InChIKeyCUHDBAFYTBBGLN-UHFFFAOYSA-N
MW191.26 g/mol
LogP-1.26
Rot. Bonds3

About 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid

2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid (PubChem CID 67051340) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid
PubChem CID67051340
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid
SMILESNC(N)(CC1NCCS1)C(=O)O
InChIInChI=1S/C6H13N3O2S/c7-6(8,5(10)11)3-4-9-1-2-12-4/h4,9H,1-3,7-8H2,(H,10,11)
InChIKeyCUHDBAFYTBBGLN-UHFFFAOYSA-N
XLogP-1.26
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
5-Thiazolidineacetic acid
CID 22276171
(4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid
CID 24804687
3,3-Diamino-3-(1,3-thiazolidin-2-yl)propanoic acid
CID 67051341
3-(1,3-Thiazolidin-2-yl)propanoic acid
CID 91512160
2-[2-(Carboxymethyl)-1,3-thiazolidin-5-yl]acetic acid
CID 140441671
4-(Thiolan-3-ylamino)butanoic acid
CID 60782851
(2S)-2-amino-3-(1,3-thiazolidin-4-yl)propanoic acid
CID 178858563

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid?
The IUPAC name of 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid (CID 67051340) is 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid.
What is the SMILES notation for 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid?
The canonical SMILES for 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid is NC(N)(CC1NCCS1)C(=O)O.
What is the InChIKey of 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid?
The InChIKey is CUHDBAFYTBBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c7-6(8,5(10)11)3-4-9-1-2-12-4/h4,9H,1-3,7-8H2,(H,10,11).
What are the key properties of 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid?
2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid has a molecular weight of 191.26 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-3-(1,3-thiazolidin-2-yl)propanoic acid is sourced from PubChem (CID 67051340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).