3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid

C10H14N2O3S — CID 115731008

IUPAC3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCCc1ncc(C(=O)NC(C)CC(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-3-8-11-5-7(16-8)10(15)12-6(2)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXSDAPRRVZCVORH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.30
Rot. Bonds5

About 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid

3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (PubChem CID 115731008) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
PubChem CID115731008
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
SMILESCCc1ncc(C(=O)NC(C)CC(=O)O)s1
InChIInChI=1S/C10H14N2O3S/c1-3-8-11-5-7(16-8)10(15)12-6(2)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXSDAPRRVZCVORH-UHFFFAOYSA-N
XLogP1.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid (CID 115731008) is 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is CCc1ncc(C(=O)NC(C)CC(=O)O)s1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
The InChIKey is XSDAPRRVZCVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-8-11-5-7(16-8)10(15)12-6(2)4-9(13)14/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid?
3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 115731008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).