2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid

C12H19N3O4S — CID 114782631

IUPAC2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1(C)CN(c2nc(C(N)C(=O)O)cs2)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-12(2)6-15(3-7(4-16)19-12)11-14-8(5-20-11)9(13)10(17)18/h5,7,9,16H,3-4,6,13H2,1-2H3,(H,17,18)
InChIKeyDXHXCGQRVIWFLL-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 114782631) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
PubChem CID114782631
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1(C)CN(c2nc(C(N)C(=O)O)cs2)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-12(2)6-15(3-7(4-16)19-12)11-14-8(5-20-11)9(13)10(17)18/h5,7,9,16H,3-4,6,13H2,1-2H3,(H,17,18)
InChIKeyDXHXCGQRVIWFLL-UHFFFAOYSA-N
XLogP0.20
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid (CID 114782631) is 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid is CC1(C)CN(c2nc(C(N)C(=O)O)cs2)CC(CO)O1.
What is the InChIKey of 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DXHXCGQRVIWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-12(2)6-15(3-7(4-16)19-12)11-14-8(5-20-11)9(13)10(17)18/h5,7,9,16H,3-4,6,13H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 114782631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).