methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate

C10H16N2O3S — CID 99834931

IUPACmethyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)[C@H](NCc1cnc(C)s1)[C@H](C)O
InChIInChI=1S/C10H16N2O3S/c1-6(13)9(10(14)15-3)12-5-8-4-11-7(2)16-8/h4,6,9,12-13H,5H2,1-3H3/t6-,9+/m0/s1
InChIKeyVZCULAOUVFOTKU-IMTBSYHQSA-N
MW244.32 g/mol
LogP0.46
Rot. Bonds5

About methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate

methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (PubChem CID 99834931) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
PubChem CID99834931
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Namemethyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)[C@H](NCc1cnc(C)s1)[C@H](C)O
InChIInChI=1S/C10H16N2O3S/c1-6(13)9(10(14)15-3)12-5-8-4-11-7(2)16-8/h4,6,9,12-13H,5H2,1-3H3/t6-,9+/m0/s1
InChIKeyVZCULAOUVFOTKU-IMTBSYHQSA-N
XLogP0.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate 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

methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
methyl (2S,3S)-3-hydroxy-2-[(2-methyl-3-pyridinyl)methylamino]butanoate
CID 99793349
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The IUPAC name of methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (CID 99834931) is methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.
What is the SMILES notation for methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The canonical SMILES for methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is COC(=O)[C@H](NCc1cnc(C)s1)[C@H](C)O.
What is the InChIKey of methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The InChIKey is VZCULAOUVFOTKU-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(13)9(10(14)15-3)12-5-8-4-11-7(2)16-8/h4,6,9,12-13H,5H2,1-3H3/t6-,9+/m0/s1.
What are the key properties of methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate has a molecular weight of 244.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is sourced from PubChem (CID 99834931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).