(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid

C11H16N2O4S — CID 119942882

IUPAC(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCCOC(C)c1ncc(C(=O)N[C@@H](C)C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-4-17-7(3)10-12-5-8(18-10)9(14)13-6(2)11(15)16/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,7?/m0/s1
InChIKeyBNLGQZWFBDBASD-PKPIPKONSA-N
MW272.33 g/mol
LogP1.44
Rot. Bonds6

About (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid

(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 119942882) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
PubChem CID119942882
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCCOC(C)c1ncc(C(=O)N[C@@H](C)C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-4-17-7(3)10-12-5-8(18-10)9(14)13-6(2)11(15)16/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,7?/m0/s1
InChIKeyBNLGQZWFBDBASD-PKPIPKONSA-N
XLogP1.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]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

(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 120614601
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
N-[(3,3-difluorocyclobutyl)methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole-5-carboxamide
CID 164633307
[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 146123255
2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 120998289
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 115731158
3-methyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120513288
4-methoxy-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120701936
2-(1-ethoxyethyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120882813
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120741714
2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 120521194
N-(1-hydroxy-3-phenylpropan-2-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75437818

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 119942882) is (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is CCOC(C)c1ncc(C(=O)N[C@@H](C)C(=O)O)s1.
What is the InChIKey of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The InChIKey is BNLGQZWFBDBASD-PKPIPKONSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-4-17-7(3)10-12-5-8(18-10)9(14)13-6(2)11(15)16/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid?
(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119942882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).