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

C12H19N3O2S — CID 104527993

IUPAC2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)C1CCCN1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(2)9-4-3-5-15(9)12-14-8(6-18-12)10(13)11(16)17/h6-7,9-10H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyADIHPGYRYQYQOW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.85
Rot. Bonds4

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

2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527993) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527993
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)C1CCCN1c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(2)9-4-3-5-15(9)12-14-8(6-18-12)10(13)11(16)17/h6-7,9-10H,3-5,13H2,1-2H3,(H,16,17)
InChIKeyADIHPGYRYQYQOW-UHFFFAOYSA-N
XLogP1.85
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527460
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
2-amino-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104528021
2-amino-2-[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527841
2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
2-amino-2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]acetic acid
CID 114782631
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423096
5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 81438942
2-amino-2-[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 104528113
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid (CID 104527993) is 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid is CC(C)C1CCCN1c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ADIHPGYRYQYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)9-4-3-5-15(9)12-14-8(6-18-12)10(13)11(16)17/h6-7,9-10H,3-5,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 269.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).