2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid

C9H14N2O3S — CID 65444170

IUPAC2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
SMILESCc1ncsc1CCOCC(N)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-6-8(15-5-11-6)2-3-14-4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13)
InChIKeyBGHSJIXIJLZUPI-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.42
Rot. Bonds6

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

2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid (PubChem CID 65444170) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
PubChem CID65444170
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
SMILESCc1ncsc1CCOCC(N)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-6-8(15-5-11-6)2-3-14-4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13)
InChIKeyBGHSJIXIJLZUPI-UHFFFAOYSA-N
XLogP0.42
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489
(2S)-2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]propanoic acid
CID 107773421
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]propanoic acid
CID 62069952
2-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]butanoic acid
CID 62069953
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]but-2-enoic acid
CID 76940783
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]propanoic acid
CID 105344837
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-N,N-dimethylacetamide
CID 60901617
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid?
The IUPAC name of 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid (CID 65444170) is 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid is Cc1ncsc1CCOCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid?
The InChIKey is BGHSJIXIJLZUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-8(15-5-11-6)2-3-14-4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid?
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid has a molecular weight of 230.29 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid is sourced from PubChem (CID 65444170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).