2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid

C7H10N2O2S — CID 64990801

IUPAC2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-7(8-2,6(10)11)5-9-3-4-12-5/h3-4,8H,1-2H3,(H,10,11)
InChIKeyKJOZZIOVLXKHNV-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.66
Rot. Bonds3

About 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid

2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990801) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990801
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-7(8-2,6(10)11)5-9-3-4-12-5/h3-4,8H,1-2H3,(H,10,11)
InChIKeyKJOZZIOVLXKHNV-UHFFFAOYSA-N
XLogP0.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71868948
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 70397200
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid dihydrochloride
CID 137964139
Aminothiazolylacetic acid
CID 20498196
2-Thiazolyl-DL-alanine
CID 21872914
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
2-(2-Thiazolyl)-alanine
CID 53768130
2-Methyl-2-(1,3-thiazol-2-yl)propanoic acid
CID 21099722
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 64990462
Methyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 64990463
Ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 64990464
3,3,3-Trifluoro-2-methyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]propanoic acid
CID 79789320

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990801) is 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid is CNC(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is KJOZZIOVLXKHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-7(8-2,6(10)11)5-9-3-4-12-5/h3-4,8H,1-2H3,(H,10,11).
What are the key properties of 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).