3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid

C8H12N2O2S — CID 83819254

IUPAC3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid
SMILESCCNC(CC(=O)O)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-10-6(3-8(11)12)7-4-9-5-13-7/h4-6,10H,2-3H2,1H3,(H,11,12)
InChIKeyLQBBCMIIKLLHOS-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.27
Rot. Bonds5

About 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid

3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid (PubChem CID 83819254) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid
PubChem CID83819254
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid
SMILESCCNC(CC(=O)O)c1cncs1
InChIInChI=1S/C8H12N2O2S/c1-2-10-6(3-8(11)12)7-4-9-5-13-7/h4-6,10H,2-3H2,1H3,(H,11,12)
InChIKeyLQBBCMIIKLLHOS-UHFFFAOYSA-N
XLogP1.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid (CID 83819254) is 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid is CCNC(CC(=O)O)c1cncs1.
What is the InChIKey of 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid?
The InChIKey is LQBBCMIIKLLHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-10-6(3-8(11)12)7-4-9-5-13-7/h4-6,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid?
3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 83819254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).