3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

C11H16N2O5S — CID 43357807

IUPAC3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-7-6-19-11(18)13(7)4-2-3-9(15)12-8(5-14)10(16)17/h6,8,14H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyBRMQRPNFIODEJI-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.44
Rot. Bonds7

About 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid

3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (PubChem CID 43357807) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
PubChem CID43357807
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
SMILESCc1csc(=O)n1CCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-7-6-19-11(18)13(7)4-2-3-9(15)12-8(5-14)10(16)17/h6,8,14H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyBRMQRPNFIODEJI-UHFFFAOYSA-N
XLogP-0.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid (CID 43357807) is 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is Cc1csc(=O)n1CCCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
The InChIKey is BRMQRPNFIODEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-6-19-11(18)13(7)4-2-3-9(15)12-8(5-14)10(16)17/h6,8,14H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid?
3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid has a molecular weight of 288.32 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid is sourced from PubChem (CID 43357807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).