2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C10H12N2O3S — CID 115731158

IUPAC2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc(C2CC2)s1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-5(10(14)15)12-8(13)7-4-11-9(16-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyIFRVQJWIMZGGAL-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.22
Rot. Bonds4

About 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 115731158) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID115731158
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cnc(C2CC2)s1)C(=O)O
InChIInChI=1S/C10H12N2O3S/c1-5(10(14)15)12-8(13)7-4-11-9(16-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyIFRVQJWIMZGGAL-UHFFFAOYSA-N
XLogP1.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 115731158) is 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is CC(NC(=O)c1cnc(C2CC2)s1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is IFRVQJWIMZGGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-5(10(14)15)12-8(13)7-4-11-9(16-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115731158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).