3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid

C10H12N2O3S — CID 63024405

IUPAC3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1cscn1)C1CC1
InChIInChI=1S/C10H12N2O3S/c13-9(14)3-4-12(7-1-2-7)10(15)8-5-16-6-11-8/h5-7H,1-4H2,(H,13,14)
InChIKeyGPYQWWZBJAOQRM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.22
Rot. Bonds5

About 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid

3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 63024405) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID63024405
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1cscn1)C1CC1
InChIInChI=1S/C10H12N2O3S/c13-9(14)3-4-12(7-1-2-7)10(15)8-5-16-6-11-8/h5-7H,1-4H2,(H,13,14)
InChIKeyGPYQWWZBJAOQRM-UHFFFAOYSA-N
XLogP1.22
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 63024405) is 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1cscn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GPYQWWZBJAOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-9(14)3-4-12(7-1-2-7)10(15)8-5-16-6-11-8/h5-7H,1-4H2,(H,13,14).
What are the key properties of 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63024405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).