2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid

C8H11N3O3S — CID 67154487

IUPAC2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)c1nccs1)C(=O)O
InChIInChI=1S/C8H11N3O3S/c9-5(8(13)14)1-2-10-6(12)7-11-3-4-15-7/h3-5H,1-2,9H2,(H,10,12)(H,13,14)
InChIKeyGZLFCYGMDAIJHZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.33
Rot. Bonds5

About 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid

2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid (PubChem CID 67154487) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
PubChem CID67154487
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)c1nccs1)C(=O)O
InChIInChI=1S/C8H11N3O3S/c9-5(8(13)14)1-2-10-6(12)7-11-3-4-15-7/h3-5H,1-2,9H2,(H,10,12)(H,13,14)
InChIKeyGZLFCYGMDAIJHZ-UHFFFAOYSA-N
XLogP-0.33
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816
N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
CID 110467918
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
CID 69459233
CID 69459233
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
CID 142955503
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid (CID 67154487) is 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid is NC(CCNC(=O)c1nccs1)C(=O)O.
What is the InChIKey of 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid?
The InChIKey is GZLFCYGMDAIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-5(8(13)14)1-2-10-6(12)7-11-3-4-15-7/h3-5H,1-2,9H2,(H,10,12)(H,13,14).
What are the key properties of 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid?
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid has a molecular weight of 229.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid is sourced from PubChem (CID 67154487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).