(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid

C9H11N3O3S — CID 118294560

IUPAC(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
SMILESNc1ncc(CC[C@H]2C(=O)N[C@@H]2C(=O)O)s1
InChIInChI=1S/C9H11N3O3S/c10-9-11-3-4(16-9)1-2-5-6(8(14)15)12-7(5)13/h3,5-6H,1-2H2,(H2,10,11)(H,12,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyKKNXRZHBAXSUKJ-RITPCOANSA-N
MW241.27 g/mol
LogP-0.14
Rot. Bonds4

About (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid

(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid (PubChem CID 118294560) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
PubChem CID118294560
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
SMILESNc1ncc(CC[C@H]2C(=O)N[C@@H]2C(=O)O)s1
InChIInChI=1S/C9H11N3O3S/c10-9-11-3-4(16-9)1-2-5-6(8(14)15)12-7(5)13/h3,5-6H,1-2H2,(H2,10,11)(H,12,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyKKNXRZHBAXSUKJ-RITPCOANSA-N
XLogP-0.14
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid (CID 118294560) is (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid is Nc1ncc(CC[C@H]2C(=O)N[C@@H]2C(=O)O)s1.
What is the InChIKey of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The InChIKey is KKNXRZHBAXSUKJ-RITPCOANSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-9-11-3-4(16-9)1-2-5-6(8(14)15)12-7(5)13/h3,5-6H,1-2H2,(H2,10,11)(H,12,13)(H,14,15)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 118294560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).