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

C7H10N2O3S — CID 106379679

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCC(NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-4(6(10)11)8-2-5-3-13-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyOLNURNCVCRJUHV-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.00
Rot. Bonds4

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

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (PubChem CID 106379679) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
PubChem CID106379679
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCC(NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H10N2O3S/c1-4(6(10)11)8-2-5-3-13-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyOLNURNCVCRJUHV-UHFFFAOYSA-N
XLogP-0.00
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Aminoprop-2-enylamino)-3-sulfanylpropanoic acid
CID 87319955
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43354501
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
2-[[2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465407
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43469441
(2S)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61132107
2-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61262258
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
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 65810073
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 78972786
(2S)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 81659049

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid (CID 106379679) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid is CC(NCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
The InChIKey is OLNURNCVCRJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4(6(10)11)8-2-5-3-13-7(12)9-5/h3-4,8H,2H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 106379679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).