2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid

C14H20N2O4S — CID 61370870

IUPAC2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1csc(=O)n1CCCC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(20)15(10)6-3-5-12(17)16-7-2-4-11(16)8-13(18)19/h9,11H,2-8H2,1H3,(H,18,19)
InChIKeyVREDPQBVJQBXJM-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.46
Rot. Bonds6

About 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370870) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370870
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid
SMILESCc1csc(=O)n1CCCC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C14H20N2O4S/c1-10-9-21-14(20)15(10)6-3-5-12(17)16-7-2-4-11(16)8-13(18)19/h9,11H,2-8H2,1H3,(H,18,19)
InChIKeyVREDPQBVJQBXJM-UHFFFAOYSA-N
XLogP1.46
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid (CID 61370870) is 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid is Cc1csc(=O)n1CCCC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is VREDPQBVJQBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-21-14(20)15(10)6-3-5-12(17)16-7-2-4-11(16)8-13(18)19/h9,11H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).