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

C10H12N4O4S — CID 126555438

IUPAC(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid
SMILESNC(=O)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O
InChIInChI=1S/C10H12N4O4S/c11-9-13-3-4(19-9)1-2-5-6(8(16)17)14(7(5)15)10(12)18/h3,5-6H,1-2H2,(H2,11,13)(H2,12,18)(H,16,17)/t5-,6+/m1/s1
InChIKeyLFWTWNIDKYKQPC-RITPCOANSA-N
MW284.30 g/mol
LogP-0.35
Rot. Bonds4

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

(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 126555438) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid
PubChem CID126555438
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid
SMILESNC(=O)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O
InChIInChI=1S/C10H12N4O4S/c11-9-13-3-4(19-9)1-2-5-6(8(16)17)14(7(5)15)10(12)18/h3,5-6H,1-2H2,(H2,11,13)(H2,12,18)(H,16,17)/t5-,6+/m1/s1
InChIKeyLFWTWNIDKYKQPC-RITPCOANSA-N
XLogP-0.35
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-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]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid (CID 126555438) is (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid is NC(=O)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is LFWTWNIDKYKQPC-RITPCOANSA-N. The full InChI is InChI=1S/C10H12N4O4S/c11-9-13-3-4(19-9)1-2-5-6(8(16)17)14(7(5)15)10(12)18/h3,5-6H,1-2H2,(H2,11,13)(H2,12,18)(H,16,17)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid?
(2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-carbamoyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 126555438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).