2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid

C13H20N2O3S — CID 75483409

IUPAC2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
SMILESCCc1ncc(C(=O)NCC(CC)(CC)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-10-14-7-9(19-10)11(16)15-8-13(5-2,6-3)12(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNGOBHWNAOMXRFM-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.33
Rot. Bonds7

About 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid (PubChem CID 75483409) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
PubChem CID75483409
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
SMILESCCc1ncc(C(=O)NCC(CC)(CC)C(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-10-14-7-9(19-10)11(16)15-8-13(5-2,6-3)12(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNGOBHWNAOMXRFM-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid (CID 75483409) is 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid is CCc1ncc(C(=O)NCC(CC)(CC)C(=O)O)s1.
What is the InChIKey of 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid?
The InChIKey is NGOBHWNAOMXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10-14-7-9(19-10)11(16)15-8-13(5-2,6-3)12(17)18/h7H,4-6,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-ethyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 75483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).