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

C7H10N2O3S — CID 106380874

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c10-6(11)1-2-8-3-5-4-13-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11)
InChIKeyHBUXIAHSWPNVRE-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.00
Rot. Bonds5

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

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (PubChem CID 106380874) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
PubChem CID106380874
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O3S/c10-6(11)1-2-8-3-5-4-13-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11)
InChIKeyHBUXIAHSWPNVRE-UHFFFAOYSA-N
XLogP0.00
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-Amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 65443409
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106379679
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380668
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380776
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380801

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (CID 106380874) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid is O=C(O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The InChIKey is HBUXIAHSWPNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-6(11)1-2-8-3-5-4-13-7(12)9-5/h4,8H,1-3H2,(H,9,12)(H,10,11).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 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)methylamino]propanoic acid is sourced from PubChem (CID 106380874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).