(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid

C11H19N3O3S — CID 57250332

IUPAC(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)N(C)C1=CN(C)CS1)C(=O)O
InChIInChI=1S/C11H19N3O3S/c1-7(2)9(10(15)16)12-11(17)14(4)8-5-13(3)6-18-8/h5,7,9H,6H2,1-4H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyLVSSZXWIXUARKY-SECBINFHSA-N
MW273.36 g/mol
LogP1.17
Rot. Bonds4

About (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid

(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid (PubChem CID 57250332) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid
PubChem CID57250332
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)N(C)C1=CN(C)CS1)C(=O)O
InChIInChI=1S/C11H19N3O3S/c1-7(2)9(10(15)16)12-11(17)14(4)8-5-13(3)6-18-8/h5,7,9H,6H2,1-4H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyLVSSZXWIXUARKY-SECBINFHSA-N
XLogP1.17
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid (CID 57250332) is (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)N(C)C1=CN(C)CS1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid?
The InChIKey is LVSSZXWIXUARKY-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)9(10(15)16)12-11(17)14(4)8-5-13(3)6-18-8/h5,7,9H,6H2,1-4H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid?
(2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid has a molecular weight of 273.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[methyl-(3-methyl-2H-1,3-thiazol-5-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 57250332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).