2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid

C11H16N2O2S — CID 116868149

IUPAC2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1sc(CC(N)C(=O)O)nc1C1CCC1
InChIInChI=1S/C11H16N2O2S/c1-6-10(7-3-2-4-7)13-9(16-6)5-8(12)11(14)15/h7-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyZMGXCGYJRRRBIA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid

2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 116868149) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID116868149
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1sc(CC(N)C(=O)O)nc1C1CCC1
InChIInChI=1S/C11H16N2O2S/c1-6-10(7-3-2-4-7)13-9(16-6)5-8(12)11(14)15/h7-8H,2-5,12H2,1H3,(H,14,15)
InChIKeyZMGXCGYJRRRBIA-UHFFFAOYSA-N
XLogP1.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4,4a,5,6,7,8,8a,9-octahydrobenzo[f][1,3]benzothiazol-2-yl)-2-aminopropanoic acid
CID 70552655
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
CID 105440602
2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116868145
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865686
(2S)-2-amino-3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid
CID 57034889
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 115046099

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid (CID 116868149) is 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1sc(CC(N)C(=O)O)nc1C1CCC1.
What is the InChIKey of 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is ZMGXCGYJRRRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-10(7-3-2-4-7)13-9(16-6)5-8(12)11(14)15/h7-8H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid?
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 240.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 116868149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).