(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid

C10H16N2O2S — CID 28819853

IUPAC(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
SMILESCc1nc(CN[C@@H](C(=O)O)C(C)C)cs1
InChIInChI=1S/C10H16N2O2S/c1-6(2)9(10(13)14)11-4-8-5-15-7(3)12-8/h5-6,9,11H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyYRENBAWBOHWNLK-SECBINFHSA-N
MW228.32 g/mol
LogP1.65
Rot. Bonds5

About (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid

(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid (PubChem CID 28819853) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
PubChem CID28819853
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
SMILESCc1nc(CN[C@@H](C(=O)O)C(C)C)cs1
InChIInChI=1S/C10H16N2O2S/c1-6(2)9(10(13)14)11-4-8-5-15-7(3)12-8/h5-6,9,11H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyYRENBAWBOHWNLK-SECBINFHSA-N
XLogP1.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 43468665
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 103243312
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
(2R)-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]butanoic acid
CID 79010693
1-chloro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 79245829
2-[[9-[[(1-carboxy-2-methylpropyl)amino]methyl]-1,10-phenanthrolin-2-yl]methylamino]-3-methylbutanoic acid
CID 15870324
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
(2S)-2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120510644
3-methyl-2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]butanoic acid
CID 65220312
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid (CID 28819853) is (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid is Cc1nc(CN[C@@H](C(=O)O)C(C)C)cs1.
What is the InChIKey of (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid?
The InChIKey is YRENBAWBOHWNLK-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(2)9(10(13)14)11-4-8-5-15-7(3)12-8/h5-6,9,11H,4H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid?
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 28819853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).