2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid

C10H16N2O2S — CID 43619557

IUPAC2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-3-4-10(2,9(13)14)12-5-8-6-15-7-11-8/h6-7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyCSUBQELRRMMVDC-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.88
Rot. Bonds6

About 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid

2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid (PubChem CID 43619557) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid
PubChem CID43619557
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid
SMILESCCCC(C)(NCc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-3-4-10(2,9(13)14)12-5-8-6-15-7-11-8/h6-7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyCSUBQELRRMMVDC-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid (CID 43619557) is 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid is CCCC(C)(NCc1cscn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid?
The InChIKey is CSUBQELRRMMVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-10(2,9(13)14)12-5-8-6-15-7-11-8/h6-7,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid?
2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-4-ylmethylamino)pentanoic acid is sourced from PubChem (CID 43619557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).