(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C9H12N2O4S — CID 156596486

IUPAC(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCOC[C@H](NC(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-10-3-7(16-5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyIZWNICUBTWLENM-LURJTMIESA-N
MW244.27 g/mol
LogP0.28
Rot. Bonds5

About (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 156596486) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID156596486
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCOC[C@H](NC(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-10-3-7(16-5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyIZWNICUBTWLENM-LURJTMIESA-N
XLogP0.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

Cobicistat metabolite M2-1
CID 53694701
Methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47398728
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
(2R)-2-amino-3-[[2-(ethoxymethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 178321632
Methyl 3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 121517491
3,3,3-Trifluoro-2-methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 108041061
5-(4,4,4-Trifluorobutan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 114267591
4,4,4-Trifluoro-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121642761
4,4,4-Trifluoro-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121878403
4,4,4-Trifluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121878690
3-Fluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945167
3-Fluoro-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945508

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 156596486) is (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is COC[C@H](NC(=O)c1cnc(C)s1)C(=O)O.
What is the InChIKey of (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is IZWNICUBTWLENM-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-10-3-7(16-5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 156596486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).