2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid

C10H16N2O2S — CID 68831374

IUPAC2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESCC(C)(C)C(N)(Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-9(2,3)10(11,8(13)14)4-7-5-15-6-12-7/h5-6H,4,11H2,1-3H3,(H,13,14)
InChIKeySVESIFYHLKNZSA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid

2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid (PubChem CID 68831374) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
PubChem CID68831374
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
SMILESCC(C)(C)C(N)(Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-9(2,3)10(11,8(13)14)4-7-5-15-6-12-7/h5-6H,4,11H2,1-3H3,(H,13,14)
InChIKeySVESIFYHLKNZSA-UHFFFAOYSA-N
XLogP1.51
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106488537
2-formyl-2-methoxy-3-(1,3-thiazol-4-yl)propanoic acid
CID 156622008
1,3-thiazol-4-ylmethyl acetate
CID 45117618
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 106487757
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568
2-(1,3-thiazol-4-yl)acetohydrazide
CID 53297918
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
4-(2,2,2-trichloroethyl)-1,3-thiazole
CID 90764072
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoate;hydrochloride
CID 156702107

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The IUPAC name of 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid (CID 68831374) is 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid.
What is the SMILES notation for 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The canonical SMILES for 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid is CC(C)(C)C(N)(Cc1cscn1)C(=O)O.
What is the InChIKey of 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
The InChIKey is SVESIFYHLKNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9(2,3)10(11,8(13)14)4-7-5-15-6-12-7/h5-6H,4,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid?
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid is sourced from PubChem (CID 68831374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).