3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid

C9H14N2O2S — CID 62854028

IUPAC3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-3-11(6-7(2)8(12)13)9-10-4-5-14-9/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyUAFTZEPEWAUFHW-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.69
Rot. Bonds5

About 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid

3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid (PubChem CID 62854028) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
PubChem CID62854028
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-3-11(6-7(2)8(12)13)9-10-4-5-14-9/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyUAFTZEPEWAUFHW-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-piperidin-1-ylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310458
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239
3-[ethyl-(5-nitro-1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 102769799
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
CID 83835505
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-(N-ethyl-2-methylsulfonylanilino)-2-methylpropanoic acid
CID 55123154

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid (CID 62854028) is 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1nccs1.
What is the InChIKey of 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is UAFTZEPEWAUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-11(6-7(2)8(12)13)9-10-4-5-14-9/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid?
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62854028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).