(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid

C14H24N2O2S — CID 120511468

IUPAC(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C14H24N2O2S/c1-9(2)6-11(12(17)18)15-7-10-8-19-13(16-10)14(3,4)5/h8-9,11,15H,6-7H2,1-5H3,(H,17,18)/t11-/m1/s1
InChIKeyLHUOSMYEXLPCNA-LLVKDONJSA-N
MW284.43 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid

(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid (PubChem CID 120511468) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
PubChem CID120511468
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C14H24N2O2S/c1-9(2)6-11(12(17)18)15-7-10-8-19-13(16-10)14(3,4)5/h8-9,11,15H,6-7H2,1-5H3,(H,17,18)/t11-/m1/s1
InChIKeyLHUOSMYEXLPCNA-LLVKDONJSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580
(2S)-2-[[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695778
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115592259
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-2-methylpropanoic acid
CID 64914510
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 103685009
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid (CID 120511468) is (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid?
The InChIKey is LHUOSMYEXLPCNA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)6-11(12(17)18)15-7-10-8-19-13(16-10)14(3,4)5/h8-9,11,15H,6-7H2,1-5H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid?
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid has a molecular weight of 284.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 120511468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).