2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid

C12H19N3O4S — CID 106382833

IUPAC2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCC(C)(NC(=O)NCc1csc(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-11(2,8(16)17)12(3,4)15-9(18)13-5-7-6-20-10(19)14-7/h6H,5H2,1-4H3,(H,14,19)(H,16,17)(H2,13,15,18)
InChIKeyWYTQZUSSAJYDDS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.12
Rot. Bonds5

About 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid

2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 106382833) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID106382833
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCC(C)(NC(=O)NCc1csc(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-11(2,8(16)17)12(3,4)15-9(18)13-5-7-6-20-10(19)14-7/h6H,5H2,1-4H3,(H,14,19)(H,16,17)(H2,13,15,18)
InChIKeyWYTQZUSSAJYDDS-UHFFFAOYSA-N
XLogP1.12
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
2-methyl-4-oxo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylbutanoic acid
CID 106379532
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
3-amino-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-sulfanylidenepropanamide
CID 106381454
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106379549
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106382868
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
3-[(2-bromophenyl)methylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266439
2-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid (CID 106382833) is 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid is CC(C)(NC(=O)NCc1csc(=O)[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is WYTQZUSSAJYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-11(2,8(16)17)12(3,4)15-9(18)13-5-7-6-20-10(19)14-7/h6H,5H2,1-4H3,(H,14,19)(H,16,17)(H2,13,15,18).
What are the key properties of 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 301.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106382833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).