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

C10H16N2O2S — CID 146242550

IUPAC3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCCNC(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-4-11-7(8-12-5-6-15-8)10(2,3)9(13)14/h5-7,11H,4H2,1-3H3,(H,13,14)
InChIKeyIRQXGSARWBTHDX-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.90
Rot. Bonds5

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

3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 146242550) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID146242550
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCCNC(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-4-11-7(8-12-5-6-15-8)10(2,3)9(13)14/h5-7,11H,4H2,1-3H3,(H,13,14)
InChIKeyIRQXGSARWBTHDX-UHFFFAOYSA-N
XLogP1.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid (CID 146242550) is 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid is CCNC(c1nccs1)C(C)(C)C(=O)O.
What is the InChIKey of 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is IRQXGSARWBTHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-11-7(8-12-5-6-15-8)10(2,3)9(13)14/h5-7,11H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid?
3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2,2-dimethyl-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 146242550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).