3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

C14H15N3O3S — CID 82032651

IUPAC3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C14H15N3O3S/c1-17(6-4-13(19)20)12(18)7-11-9-21-14(16-11)10-3-2-5-15-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20)
InChIKeyYFRALMRWWRTHCN-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.68
Rot. Bonds6

About 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 82032651) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
PubChem CID82032651
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C14H15N3O3S/c1-17(6-4-13(19)20)12(18)7-11-9-21-14(16-11)10-3-2-5-15-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20)
InChIKeyYFRALMRWWRTHCN-UHFFFAOYSA-N
XLogP1.68
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (CID 82032651) is 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is YFRALMRWWRTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(6-4-13(19)20)12(18)7-11-9-21-14(16-11)10-3-2-5-15-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 82032651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).