2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid

C9H12N2O3S — CID 115729778

IUPAC2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1cscn1
InChIInChI=1S/C9H12N2O3S/c1-11(4-9(13)14)8(12)3-2-7-5-15-6-10-7/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNCTIUCWMWSLZEE-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.62
Rot. Bonds5

About 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid

2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid (PubChem CID 115729778) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
PubChem CID115729778
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCc1cscn1
InChIInChI=1S/C9H12N2O3S/c1-11(4-9(13)14)8(12)3-2-7-5-15-6-10-7/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNCTIUCWMWSLZEE-UHFFFAOYSA-N
XLogP0.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic 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

N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679458
2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55011796
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
CID 119864882
2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
CID 60833411
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
CID 120885522
N,N-di(propan-2-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 138544936
5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55011839
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid (CID 115729778) is 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid is CN(CC(=O)O)C(=O)CCc1cscn1.
What is the InChIKey of 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid?
The InChIKey is NCTIUCWMWSLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(4-9(13)14)8(12)3-2-7-5-15-6-10-7/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid?
2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 115729778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).