3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid

C10H15N3O3S — CID 64685300

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H15N3O3S/c1-10(2,4-8(15)16)13-7(14)3-6-5-17-9(11)12-6/h5H,3-4H2,1-2H3,(H2,11,12)(H,13,14)(H,15,16)
InChIKeyMKWSFEHSQSLRRY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.64
Rot. Bonds5

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 64685300) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
PubChem CID64685300
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H15N3O3S/c1-10(2,4-8(15)16)13-7(14)3-6-5-17-9(11)12-6/h5H,3-4H2,1-2H3,(H2,11,12)(H,13,14)(H,15,16)
InChIKeyMKWSFEHSQSLRRY-UHFFFAOYSA-N
XLogP0.64
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
2-(2-amino-1,3-thiazol-4-yl)-N-[tert-butyl(diphenyl)silyl]oxyacetamide
CID 20795943
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid (CID 64685300) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)Cc1csc(N)n1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is MKWSFEHSQSLRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,4-8(15)16)13-7(14)3-6-5-17-9(11)12-6/h5H,3-4H2,1-2H3,(H2,11,12)(H,13,14)(H,15,16).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64685300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).