2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid

C10H13N3O3S — CID 116682305

IUPAC2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H13N3O3S/c1-5(9(15)16)6-2-13(3-6)8(14)7-4-17-10(11)12-7/h4-6H,2-3H2,1H3,(H2,11,12)(H,15,16)
InChIKeyHRUDGYUSVXMFTB-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.52
Rot. Bonds3

About 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116682305) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116682305
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H13N3O3S/c1-5(9(15)16)6-2-13(3-6)8(14)7-4-17-10(11)12-7/h4-6H,2-3H2,1H3,(H2,11,12)(H,15,16)
InChIKeyHRUDGYUSVXMFTB-UHFFFAOYSA-N
XLogP0.52
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309150
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809
[(3aR,6aS)-5-(2-amino-1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 155963721
(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126451698
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid (CID 116682305) is 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2csc(N)n2)C1.
What is the InChIKey of 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is HRUDGYUSVXMFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5(9(15)16)6-2-13(3-6)8(14)7-4-17-10(11)12-7/h4-6H,2-3H2,1H3,(H2,11,12)(H,15,16).
What are the key properties of 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 255.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).