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

C11H19N3O3S — CID 113423150

IUPAC2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(C(N)C(=O)O)cs1)C(C)C
InChIInChI=1S/C11H19N3O3S/c1-7(2)14(4-5-17-3)11-13-8(6-18-11)9(12)10(15)16/h6-7,9H,4-5,12H2,1-3H3,(H,15,16)
InChIKeyPCXJJEDHHPBEHL-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.09
Rot. Bonds7

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

2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 113423150) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID113423150
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCCN(c1nc(C(N)C(=O)O)cs1)C(C)C
InChIInChI=1S/C11H19N3O3S/c1-7(2)14(4-5-17-3)11-13-8(6-18-11)9(12)10(15)16/h6-7,9H,4-5,12H2,1-3H3,(H,15,16)
InChIKeyPCXJJEDHHPBEHL-UHFFFAOYSA-N
XLogP1.09
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid (CID 113423150) is 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid is COCCN(c1nc(C(N)C(=O)O)cs1)C(C)C.
What is the InChIKey of 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PCXJJEDHHPBEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)14(4-5-17-3)11-13-8(6-18-11)9(12)10(15)16/h6-7,9H,4-5,12H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 273.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113423150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).