2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid

C7H11N3O3S — CID 106382352

IUPAC2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESNC(CNCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H11N3O3S/c8-5(6(11)12)2-9-1-4-3-14-7(13)10-4/h3,5,9H,1-2,8H2,(H,10,13)(H,11,12)
InChIKeyHIKRNWGLMJGJET-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.06
Rot. Bonds5

About 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid

2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (PubChem CID 106382352) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
PubChem CID106382352
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESNC(CNCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H11N3O3S/c8-5(6(11)12)2-9-1-4-3-14-7(13)10-4/h3,5,9H,1-2,8H2,(H,10,13)(H,11,12)
InChIKeyHIKRNWGLMJGJET-UHFFFAOYSA-N
XLogP-1.06
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
CID 106382333
2-Amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
CID 70407271
2-amino-2-(2-oxo-3H-1,3-thiazol-4-yl)acetic acid
CID 15137536
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43354850
2-Acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 64580902
2-Amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 65443409
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106379679
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380541
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380859
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
CID 106380875

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (CID 106382352) is 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid is NC(CNCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The InChIKey is HIKRNWGLMJGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c8-5(6(11)12)2-9-1-4-3-14-7(13)10-4/h3,5,9H,1-2,8H2,(H,10,13)(H,11,12).
What are the key properties of 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid has a molecular weight of 217.25 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 106382352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).