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

C8H12N2O2S — CID 64990802

IUPAC2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C8H12N2O2S/c1-3-10-8(2,7(11)12)6-9-4-5-13-6/h4-5,10H,3H2,1-2H3,(H,11,12)
InChIKeyZEJDNFQKPJIQNE-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.05
Rot. Bonds4

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

2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 64990802) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid
PubChem CID64990802
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1nccs1
InChIInChI=1S/C8H12N2O2S/c1-3-10-8(2,7(11)12)6-9-4-5-13-6/h4-5,10H,3H2,1-2H3,(H,11,12)
InChIKeyZEJDNFQKPJIQNE-UHFFFAOYSA-N
XLogP1.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid (CID 64990802) is 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid is CCNC(C)(C(=O)O)c1nccs1.
What is the InChIKey of 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is ZEJDNFQKPJIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-10-8(2,7(11)12)6-9-4-5-13-6/h4-5,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid?
2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 64990802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).