2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid

C11H19N3O2S — CID 103466449

IUPAC2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCC(C)(C)CNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)6-13-10-14-7(5-17-10)8(12)9(15)16/h5,8H,4,6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUIVVXZDSFUIVHC-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.08
Rot. Bonds6

About 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 103466449) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID103466449
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCC(C)(C)CNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C11H19N3O2S/c1-4-11(2,3)6-13-10-14-7(5-17-10)8(12)9(15)16/h5,8H,4,6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUIVVXZDSFUIVHC-UHFFFAOYSA-N
XLogP2.08
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid (CID 103466449) is 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid is CCC(C)(C)CNc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UIVVXZDSFUIVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(2,3)6-13-10-14-7(5-17-10)8(12)9(15)16/h5,8H,4,6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 257.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 103466449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).