4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid

C11H17N3O4S — CID 106382746

IUPAC4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-6(2)3-8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyMLSWRNLOKUZBDM-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.73
Rot. Bonds6

About 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid

4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 106382746) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID106382746
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-6(2)3-8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyMLSWRNLOKUZBDM-UHFFFAOYSA-N
XLogP0.73
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 106382746) is 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is MLSWRNLOKUZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-6(2)3-8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17).
What are the key properties of 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106382746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).