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

C8H11N3O4S — CID 106382805

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H11N3O4S/c12-6(13)1-2-9-7(14)10-3-5-4-16-8(15)11-5/h4H,1-3H2,(H,11,15)(H,12,13)(H2,9,10,14)
InChIKeyPLPNFLSBSJHWEP-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.29
Rot. Bonds5

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

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (PubChem CID 106382805) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
PubChem CID106382805
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H11N3O4S/c12-6(13)1-2-9-7(14)10-3-5-4-16-8(15)11-5/h4H,1-3H2,(H,11,15)(H,12,13)(H2,9,10,14)
InChIKeyPLPNFLSBSJHWEP-UHFFFAOYSA-N
XLogP-0.29
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380983
3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 106382709
2-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106382730
1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidine-3-carboxylic acid
CID 106382752
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382754
4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid
CID 106382759
2-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 106382765
2-hydroxy-2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106382773
2-hydroxy-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106382774

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid (CID 106382805) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is PLPNFLSBSJHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c12-6(13)1-2-9-7(14)10-3-5-4-16-8(15)11-5/h4H,1-3H2,(H,11,15)(H,12,13)(H2,9,10,14).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 245.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106382805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).